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3',4'-Methylenedioxy epicatechin 5,7-dimethyl ether

PropertiesImage
MNX_IDMNXM35888 Image of MNXM35888
referencechebi:190115
formulaC18H18O6
global charge0
mol weight330.336
InChIKeyMMKQEVQTCAAXTI-FZKQIMNGSA-N
InChIInChI=1S/C18H18O6/c1-20-11-6-15(21-2)12-8-13(19)18(24-16(12)7-11)10-3-4-14-17(5-10)23-9-22-14/h3-7,13,18-19H,8-9H2,1-2H3/t13-,18-/m1/s1
SMILESCOC1=CC2=C(C[C@@H](O)[C@@H](C3=CC=C4OCOC4=C3)O2)C(OC)=C1
MNX internals
InChI (mnx)InChI=1/C18H18O6/c1-20-11-6-15(21-2)12-8-13(19)18(24-16(12)7-11)10-3-4-14-17(5-10)23-9-22-14/h3-7,13,18-19H,8-9H2,1-2H3/t13-,18-/m1/s1 Image of MNXM35888
SMILES (mnx)[CH3:1][O:20][C:11]1=[CH:6][C:15]([O:21][CH3:2])=[C:12]2[CH2:8][C@@H:13]([OH:19])[C@@H:18]([C:10]3=[CH:5][C:17]4=[C:14]([CH:4]=[CH:3]3)[O:22][CH2:9][O:23]4)[O:24][C:16]2=[CH:7]1
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

CHEBI:190115
chebi:190115
MMKQEVQTCAAXTI-FZKQIMNGSA-N 		3',4'-Methylenedioxy epicatechin 5,7-dimethyl ether
(2R,3R)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol
hmdb:HMDB0037955
MMKQEVQTCAAXTI-UHFFFAOYSA-N 		(+/-)-3',4'-Methylenedioxy-5,7-dimethylepicatechin
2-(2H-1,3-benzodioxol-5-yl)-5,7-dimethoxy-3,4-dihydro-2H-1-benzopyran-3-ol
3',4'-Methylenedioxy epicatechin 5,7-dimethyl ether

lipidmaps:LMPK12020145
lipidmapsM:LMPK12020145
MMKQEVQTCAAXTI-FZKQIMNGSA-N 		3',4'-Methylenedioxy epicatechin 5,7-dimethyl ether

CHEBI:173267
chebi:173267
MMKQEVQTCAAXTI-UHFFFAOYSA-N 		3',4'-Methylenedioxy-5,7-dimethylepicatechin
2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol

hmdb:HMDB37955 		secondary/obsolete/fantasy identifier