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3-O-acetylpapaveroxine

PropertiesImage
MNX_IDMNXM114540 Image of MNXM114540
referencechebi:141645
formulaC24H27NO8
global charge0
mol weight457.479
InChIKeyJUUOWVIBIPDOSQ-IRLDBZIGSA-N
InChIInChI=1S/C24H27NO8/c1-13(27)33-22(15-6-7-17(28-3)21(29-4)16(15)11-26)20-19-14(8-9-25(20)2)10-18-23(24(19)30-5)32-12-31-18/h6-7,10-11,20,22H,8-9,12H2,1-5H3/t20-,22+/m1/s1
SMILESCOC1=C(OC)C(C=O)=C([C@H](OC(C)=O)[C@H]2C3=C(OC)C4=C(C=C3CCN2C)OCO4)C=C1
MNX internals
InChI (mnx)InChI=1/C24H27NO8/c1-13(27)33-22(15-6-7-17(28-3)21(29-4)16(15)11-26)20-19-14(8-9-25(20)2)10-18-23(24(19)30-5)32-12-31-18/h6-7,10-11,20,22H,8-9,12H2,1-5H3/t20-,22+/m1/s1 Image of MNXM114540
SMILES (mnx)[CH3:1][C:13](=[O:27])[O:33][C@@H:22]([C:15]1=[C:16]([CH:11]=[O:26])[C:21]([O:29][CH3:4])=[C:17]([O:28][CH3:3])[CH:7]=[CH:6]1)[C@H:20]1[C:19]2=[C:24]([O:30][CH3:5])[C:23]3=[C:18]([CH:10]=[C:14]2[CH2:8][CH2:9][N:25]1[CH3:2])[O:31][CH2:12][O:32]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:141645
chebi:141645
JUUOWVIBIPDOSQ-IRLDBZIGSA-N 		3-O-acetylpapaveroxine
(S)-(2-formyl-3,4-dimethoxyphenyl)[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl acetate

kegg.compound:C21591
keggC:C21591
JUUOWVIBIPDOSQ-IRLDBZIGSA-N 		3-O-Acetylpapaveroxine

metacyc.compound:CPD-14832
metacycM:CPD-14832
seed.compound:cpd34176
seedM:cpd34176
JUUOWVIBIPDOSQ-IRLDBZIGSA-N 		3-O-aceylpapaveroxine

keggC:M_C21591
seedM:M_cpd34176 		secondary/obsolete/fantasy identifier