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Atheroline

PropertiesImage
MNX_IDMNXM42919 Image of MNXM42919
referencechebi:2906
formulaC19H15NO5
global charge0
mol weight337.331
InChIKeyVITQCDLNBVTCJS-UHFFFAOYSA-N
InChIInChI=1S/C19H15NO5/c1-23-13-8-10-11(7-12(13)21)18(22)17-15-9(4-5-20-17)6-14(24-2)19(25-3)16(10)15/h4-8,21H,1-3H3
SMILESCOC1=CC2=C(C=C1O)C(=O)C1=C3C(=CC=N1)C=C(OC)C(OC)=C23
MNX internals
InChI (mnx)InChI=1/C19H15NO5/c1-23-13-8-10-11(7-12(13)21)18(22)17-15-9(4-5-20-17)6-14(24-2)19(25-3)16(10)15/h4-8,21H,1-3H3 Image of MNXM42919
SMILES (mnx)[CH3:1][O:23][C:13]1=[C:12]([OH:21])[CH:7]=[C:11]2[C:10](=[CH:8]1)[C:16]1=[C:15]3[C:9](=[CH:6][C:14]([O:24][CH3:2])=[C:19]1[O:25][CH3:3])[CH:4]=[CH:5][N:20]=[C:17]3[C:18]2=[O:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd06238
seedM:cpd06238
CHEBI:2906
chebi:2906
kegg.compound:C09343
keggC:C09343
VITQCDLNBVTCJS-UHFFFAOYSA-N
Atheroline

keggC:M_C09343
seedM:M_cpd06238
secondary/obsolete/fantasy identifier