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3-O-acetyl-4'-O-demethylpapaveroxine

PropertiesImage
MNX_IDMNXM114541 Image of MNXM114541
referencechebi:141643
formulaC23H25NO8
global charge0
mol weight443.452
InChIKeyXKBBRFAPWMBHPG-KNQAVFIVSA-N
InChIInChI=1S/C23H25NO8/c1-12(26)32-22(14-5-6-16(28-3)21(29-4)15(14)10-25)19-18-13(7-8-24(19)2)9-17-23(20(18)27)31-11-30-17/h5-6,9-10,19,22,27H,7-8,11H2,1-4H3/t19-,22+/m1/s1
SMILESCOC1=C(OC)C(C=O)=C([C@H](OC(C)=O)[C@H]2C3=C(O)C4=C(C=C3CCN2C)OCO4)C=C1
MNX internals
InChI (mnx)InChI=1/C23H25NO8/c1-12(26)32-22(14-5-6-16(28-3)21(29-4)15(14)10-25)19-18-13(7-8-24(19)2)9-17-23(20(18)27)31-11-30-17/h5-6,9-10,19,22,27H,7-8,11H2,1-4H3/t19-,22+/m1/s1 Image of MNXM114541
SMILES (mnx)[CH3:1][C:12](=[O:26])[O:32][C@@H:22]([C:14]1=[C:15]([CH:10]=[O:25])[C:21]([O:29][CH3:4])=[C:16]([O:28][CH3:3])[CH:6]=[CH:5]1)[C@H:19]1[C:18]2=[C:20]([OH:27])[C:23]3=[C:17]([CH:9]=[C:13]2[CH2:7][CH2:8][N:24]1[CH3:2])[O:30][CH2:11][O:31]3
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:141643
chebi:141643
XKBBRFAPWMBHPG-KNQAVFIVSA-N 		3-O-acetyl-4'-O-demethylpapaveroxine
(S)-(2-formyl-3,4-dimethoxyphenyl)[(5R)-4-hydroxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl acetate
4'-O-desmethyl-3-O-acetylpapaveroxine

metacyc.compound:CPD-14831
metacycM:CPD-14831
seed.compound:cpd34819
seedM:cpd34819
XKBBRFAPWMBHPG-KNQAVFIVSA-N
XKBBRFAPWMBHPG-KNQAVFIVSA-O 		3-O-acetyl-4'-O-demethylpapaveroxine

kegg.compound:C21590
keggC:C21590
XKBBRFAPWMBHPG-KNQAVFIVSA-N 		4'-O-Desmethyl-3-O-acetylpapaveroxine
3-O-Acetyl-4'-O-demethylpapaveroxine

keggC:M_C21590
seedM:M_cpd34819 		secondary/obsolete/fantasy identifier