Purchasable Bioactives for CHEMBL178

Generated on: 2026-04-01 09:47:22

001chem (1 compound)
Vendor ID: DY10456
Index: 1

SMILES:
COC1=CC=CC2=C1C(=O)C3=C(O)C4=C(C[C@@](O)(C(C)=O)C[C@@H]4O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)C(O)=C3C2=O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.001chem.src.txt.anon.map.txt
1pchembb (2 compounds)
Vendor ID: 1P0037YT
Index: 1

SMILES:
COc1cccc2c1C(=O)c3c(C2=O)c(O)c4c(c3O)[C@@H](O[C@H]5C[C@H](N)[C@@H]([C@@H](O5)C)O)C[C@](C4)(O)C(=O)C
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.1pchembb.src.txt.anon.map.txt
Vendor ID: 1P00I4G8
Index: 2

SMILES:
COc1cccc2c1C(=O)c3c(C2=O)c(O)c4c(c3O)[C@@H](O[C@H]5C[C@H](N)[C@@H]([C@@H](O5)C)O)C[C@](C4)(O)C(=O)C
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.1pchembb.src.txt.anon.map.txt
abovchem (2 compounds)
Vendor ID: HY-13062
Index: 0

SMILES:
COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(O)=C4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)C4=C3O)C(C)=O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.abovchem.src.txt.anon.map.txt
Vendor ID: HY-13062A
Index: 1

SMILES:
COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(O)=C4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)C4=C3O)C(C)=O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.abovchem.src.txt.anon.map.txt
accela (1 compound)
Vendor ID: SY058973
Index: 0

SMILES:
COC1=C2C(=O)C3=C(C(=O)C2=CC=C1)C(O)=C4C[C@@](O)(C(C)=O)C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)C4=C3O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.accela.src.txt.anon.map.txt
achemblock (1 compound)
Vendor ID: H-8446
Index: 0

SMILES:
COC1=CC=CC2=C1C(=O)C3=C(O)C4=C(C[C@@](O)(C(C)=O)C[C@@H]4O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)C(O)=C3C2=O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.achemblock.src.txt.anon.map.txt
akscip-v (1 compound)
Vendor ID: E380
Index: 0

SMILES:
COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(O)=C4C[C@@](O)(C(C)=O)C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)C4=C3O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.akscip-v.src.txt.anon.map.txt
aladdinsci (2 compounds)
Vendor ID: D122335
Index: 0

SMILES:
CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.aladdinsci.src.txt.anon.map.txt
Vendor ID: D409068
Index: 1

SMILES:
COC1=C2C(=O)C3=C(C(=C4CC(O)(CC(OC5CC(N)C(O)C(C)O5)C4=C3O)C(C)=O)O)C(=O)C2=CC=C1
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.aladdinsci.src.txt.anon.map.txt
apexbt (1 compound)
Vendor ID: AMY10310
Index: 0

SMILES:
COC1=C2C(=O)C3=C(O)C4=C(C[C@@](O)(C(C)=O)C[C@@H]4O[C@@H]5CC(N)C(O)[C@H](C)O5)C(O)=C3C(=O)C2=CC=C1
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.apexbt.src.txt.anon.map.txt
apexmol (1 compound)
Vendor ID: AMY10310
Index: 0

SMILES:
COC1=C2C(=O)C3=C(O)C4=C(C[C@@](O)(C(C)=O)C[C@@H]4O[C@@H]5CC(N)C(O)[C@H](C)O5)C(O)=C3C(=O)C2=CC=C1
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.apexmol.src.txt.anon.map.txt
apichem (1 compound)
Vendor ID: AC-6926
Index: 0

SMILES:
[C@H]1(O[C@H]2C[C@](O)(C(C)=O)CC3=C(O)C4=C(C(=O)C5=C(OC)C=CC=C5C4=O)C(O)=C32)C[C@H](N)[C@@H](O)[C@H](C)O1
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.apichem.src.txt.anon.map.txt
apollobio (1 compound)
Vendor ID: BID0122
Index: 0

SMILES:
COC1=CC=CC2=C1C(=O)C3=C(O)C4=C(C[C@@](O)(C(C)=O)C[C@@H]4O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)C(O)=C3C2=O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.apollobio.src.txt.anon.map.txt
astatech (1 compound)
Vendor ID: 44040
Index: 0

SMILES:
COC1=C2C(=O)C3=C(O)C4=C(C[C@](O)(C(C)=O)C[C@H]4O[C@@H]5C[C@@H](N)[C@@H](O)[C@@H](C)O5)C(O)=C3C(=O)C2=CC=C1
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.astatech.src.txt.anon.map.txt
astateche (1 compound)
Vendor ID: 41058
Index: 0

SMILES:
COC1=C2C(=O)C3=C(O)C4=C(C[C@](O)(C(C)=O)C[C@H]4OC5CC(N)C(O)C(C)O5)C(O)=C3C(=O)C2=CC=C1
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.astateche.src.txt.anon.map.txt
boerchembb (1 compound)
Vendor ID: BC209620
Index: 0

SMILES:
C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.boerchembb.src.txt.anon.map.txt
bosche (1 compound)
Vendor ID: D3454
Index: 0

SMILES:
COC1=C2C(=O)C3=C(C(=O)C2=CC=C1)C(O)=C4C[C@@](O)(C(C)=O)C[C@H](OC5CC(N)C(O)[C@H](C)O5)C4=C3O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.bosche.src.txt.anon.map.txt
cayman (1 compound)
Vendor ID: 14159
Index: 0

SMILES:
C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.cayman.src.txt.anon.map.txt
chebi (1 compound)
Vendor ID: CHEBI:41977
Index: 0

SMILES:
C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.chebi.src.txt.anon.map.txt
chemyuhao (2 compounds)
Vendor ID: LT7755
Index: 0

SMILES:
COC1=CC=CC2=C1C(=O)C3=C(O)C4=C(C[C@@](O)(C(C)=O)C[C@@H]4O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)C(O)=C3C2=O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.chemyuhao.src.txt.anon.map.txt
Vendor ID: XJ4606
Index: 1

SMILES:
[C@H]1(O[C@H]2C[C@](O)(C(C)=O)CC3=C(O)C4=C(C(=O)C5=C(OC)C=CC=C5C4=O)C(O)=C32)C[C@H](N)[C@H](O)[C@H](C)O1
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.chemyuhao.src.txt.anon.map.txt
dball (1 compound)
Vendor ID: DB00694
Index: 0

SMILES:
COC1=CC=CC2=C1C(=O)C3=C(O)C4=C(C[C@@](O)(C(C)=O)C[C@@H]4O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)C(O)=C3C2=O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.dball.src.txt.anon.map.txt
dbap (1 compound)
Vendor ID: DB00694
Index: 0

SMILES:
COC1=CC=CC2=C1C(=O)C3=C(O)C4=C(C[C@@](O)(C(C)=O)C[C@@H]4O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)C(O)=C3C2=O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.dbap.src.txt.anon.map.txt
dbfda (1 compound)
Vendor ID: DB00694
Index: 0

SMILES:
COC1=CC=CC2=C1C(=O)C3=C(O)C4=C(C[C@](O)(C[C@@H]4O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)C(C)=O)C(O)=C3C2=O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.dbfda.src.txt.anon.map.txt
excenen (1 compound)
Vendor ID: EX-A2649
Index: 0

SMILES:
COC1=C2C(=O)C3=C(O)C4=C(C[C@](O)(C(C)=O)C[C@H]4O[C@@H]5C[C@@H](N)[C@@H](O)[C@@H](C)O5)C(O)=C3C(=O)C2=CC=C1
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.excenen.src.txt.anon.map.txt
fda (1 compound)
Vendor ID: DB00694
Index: 0

SMILES:
COC1=CC=CC2=C1C(=O)C3=C(O)C4=C(C[C@](O)(C[C@@H]4O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)C(C)=O)C(O)=C3C2=O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.fda.src.txt.anon.map.txt
hairui (2 compounds)
Vendor ID: HR127177
Index: 0

SMILES:
COc1cccc2c1C(=O)c3c(O)c4c(c(O)c3C2=O)CC(O)(C(C)=O)CC4OC5CC(N)C(O)C(C)O5
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.hairui.src.txt.anon.map.txt
Vendor ID: HR137580
Index: 1

SMILES:
COc1cccc2c1C(=O)c3c(O)c4c(c(O)c3C2=O)CC(O)(C(C)=O)CC4OC5CC(N)C(O)C(C)O5
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.hairui.src.txt.anon.map.txt
hmdbdrug (1 compound)
Vendor ID: HMDB0014832
Index: 0

SMILES:
COC1=CC=CC2=C1C(=O)C3=C(O)C4=C(C[C@](O)(C[C@@H]4O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)C(C)=O)C(O)=C3C2=O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.hmdbdrug.src.txt.anon.map.txt
keggcviapc (1 compound)
Vendor ID: C01907
Index: 0

SMILES:
COC1=C2C(=O)C3=C(C(=O)C2=CC=C1)C(O)=C4C[C@@](O)(C(C)=O)C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)C4=C3O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.keggcviapc.src.txt.anon.map.txt
keggdviapc (3 compounds)
Vendor ID: D07776
Index: 0

SMILES:
COC1=C2C(=O)C3=C(C(=O)C2=CC=C1)C(O)=C4C[C@@](O)(C(C)=O)C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)C4=C3O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.keggdviapc.src.txt.anon.map.txt
Vendor ID: D01264
Index: 1

SMILES:
COC1=C2C(=O)C3=C(O)C4=C(C[C@@](O)(C(C)=O)C[C@@H]4O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)C(O)=C3C(=O)C2=CC=C1
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.keggdviapc.src.txt.anon.map.txt
Vendor ID: D10787
Index: 2

SMILES:
COC1=C2C(=O)C3=C(O)C4=C(C[C@@](O)(C(C)=O)C[C@@H]4O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)C(O)=C3C(=O)C2=CC=C1
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.keggdviapc.src.txt.anon.map.txt
keyobio (1 compound)
Vendor ID: KS-5149
Index: 0

SMILES:
COC1=CC=CC2=C1C(=O)C3=C(O)C4=C(C[C@@](O)(C(C)=O)C[C@@H]4O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)C(O)=C3C2=O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.keyobio.src.txt.anon.map.txt
lincs (4 compounds)
Vendor ID: BRD-A37630846
Index: 0

SMILES:
COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)C
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.lincs.src.txt.anon.map.txt
Vendor ID: BRD-K91966436
Index: 1

SMILES:
COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.lincs.src.txt.anon.map.txt
Vendor ID: BRD-A68009927
Index: 3

SMILES:
COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(C)=O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.lincs.src.txt.anon.map.txt
Vendor ID: BRD-K43389675
Index: 4

SMILES:
COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.lincs.src.txt.anon.map.txt
mce (1 compound)
Vendor ID: HY-13062
Index: 1

SMILES:
[C@H]1(O[C@H]2C[C@](O)(C(C)=O)CC3=C(O)C4=C(C(=O)C5=C(C=CC=C5OC)C4=O)C(O)=C32)C[C@H](N)[C@H](O)[C@H](C)O1
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.mce.src.txt.anon.map.txt
mcep-v (1 compound)
Vendor ID: HY-13062R
Index: 0

SMILES:
[C@H]1(O[C@H]2C[C@](O)(C(C)=O)CC3=C(O)C4=C(C(=O)C5=C(C=CC=C5OC)C4=O)C(O)=C32)C[C@H](N)[C@H](O)[C@H](C)O1
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.mcep-v.src.txt.anon.map.txt
molcore (1 compound)
Vendor ID: MC10456
Index: 0

SMILES:
COC1=CC=CC2=C1C(=O)C3=C(O)C4=C(CC(O)(C(C)=O)CC4OC5CC(N)C(O)C(C)O5)C(O)=C3C2=O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.molcore.src.txt.anon.map.txt
molnova (2 compounds)
Vendor ID: M13676
Index: 0

SMILES:
COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(O)=C4C[C@@](O)(C(C)=O)C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)C4=C3O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.molnova.src.txt.anon.map.txt
Vendor ID: M13246
Index: 1

SMILES:
COC1=CC=CC2=C1C(=O)C3=C(O)C4=C(CC(O)(C(C)=O)CC4OC5CC(N)C(O)C(C)O5)C(O)=C3C2=O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.molnova.src.txt.anon.map.txt
pdb (1 compound)
Vendor ID: DM1
Index: 0

SMILES:
C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.pdb.src.txt.anon.map.txt
selleck (3 compounds)
Vendor ID: S3035
Index: 0

SMILES:
CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.selleck.src.txt.anon.map.txt
Vendor ID: S3035
Index: 1

SMILES:
CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.selleck.src.txt.anon.map.txt
Vendor ID: S3035
Index: 2

SMILES:
CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.selleck.src.txt.anon.map.txt
struchembb (1 compound)
Vendor ID: SC-18793
Index: 0

SMILES:
COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(O)=C4C[C@@](O)(C(C)=O)C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)C4=C3O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.struchembb.src.txt.anon.map.txt
targetmolbio (1 compound)
Vendor ID: T1511
Index: 0

SMILES:
COc1cccc2c1C(=O)c3c(O)c4c(c(O)c3C2=O)C[C@@](O)(C(C)=O)C[C@@H]4O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.targetmolbio.src.txt.anon.map.txt
targetmolnp (1 compound)
Vendor ID: T1511
Index: 0

SMILES:
COc1cccc2c1C(=O)c3c(O)c4c(c(O)c3C2=O)C[C@@](O)(C(C)=O)C[C@@H]4O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.targetmolnp.src.txt.anon.map.txt
tetrahedronbb (1 compound)
Vendor ID: TS83536
Index: 1

SMILES:
C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.tetrahedronbb.src.txt.anon.map.txt
tocris (1 compound)
Vendor ID: 1467
Index: 0

SMILES:
CC1C(C(CC(O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.tocris.src.txt.anon.map.txt
urine (1 compound)
Vendor ID: HMDB0014832
Index: 0

SMILES:
COC1=CC=CC2=C1C(=O)C3=C(O)C4=C(C[C@@](O)(C(C)=O)C[C@@H]4O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)C(O)=C3C2=O
BaseCHEMBL178
Anonymous GraphB42R5.3788790558
Similarity Code[0,0,0,0,0,0|0,0,0]=0
Source FileCHEMBL178.urine.src.txt.anon.map.txt