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7-Hydroxy-2',5,6-trimethoxy-4',5'-methylenedioxyisoflavone 7-(2-p-coumaroylglucoside)

PropertiesImage
MNX_IDMNXM118546 Image of MNXM118546
referencehmdb:HMDB0041151
formulaC34H32O15
global charge0
mol weight680.615
InChIKeyMRZUIFKFQDDCQC-TWGQIWQCSA-N
InChIInChI=1S/C34H32O15/c1-41-20-11-22-21(45-15-46-22)10-18(20)19-14-44-23-12-24(31(42-2)32(43-3)27(23)28(19)38)47-34-33(30(40)29(39)25(13-35)48-34)49-26(37)9-6-16-4-7-17(36)8-5-16/h4-12,14,25,29-30,33-36,39-40H,13,15H2,1-3H3/b9-6-
SMILESCOC1=CC2=C(C=C1C1=COC3=CC(OC4OC(CO)C(O)C(O)C4OC(=O)/C=C\C4=CC=C(O)C=C4)=C(OC)C(OC)=C3C1=O)OCO2
MNX internals
InChI (mnx)InChI=1/C34H32O15/c1-41-20-11-22-21(45-15-46-22)10-18(20)19-14-44-23-12-24(31(42-2)32(43-3)27(23)28(19)38)47-34-33(30(40)29(39)25(13-35)48-34)49-26(37)9-6-16-4-7-17(36)8-5-16/h4-12,14,25,29-30,33-36,39-40H,13,15H2,1-3H3/b9-6-/t25?,29?,30?,33?,34? Image of MNXM118546
SMILES (mnx)[CH3:1][O:41][C:20]1=[CH:11][C:22]2=[C:21]([CH:10]=[C:18]1[C:19]1=[CH:14][O:44][C:23]3=[CH:12][C:24]([O:47][CH:34]4[CH:33]([O:49][C:26](/[CH:9]=[CH:6]\[C:16]5=[CH:5][CH:8]=[C:17]([OH:36])[CH:7]=[CH:4]5)=[O:37])[CH:30]([OH:40])[CH:29]([OH:39])[CH:25]([CH2:13][OH:35])[O:48]4)=[C:31]([O:42][CH3:2])[C:32]([O:43][CH3:3])=[C:27]3[C:28]1=[O:38])[O:45][CH2:15][O:46]2
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
hmdb:HMDB0041151
MRZUIFKFQDDCQC-TWGQIWQCSA-N 		7-Hydroxy-2',5,6-trimethoxy-4',5'-methylenedioxyisoflavone 7-(2-p-coumaroylglucoside)
2-{[5,6-dimethoxy-3-(6-methoxy-2H-1,3-benzodioxol-5-yl)-4-oxo-4H-chromen-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2Z)-3-(4-hydroxyphenyl)prop-2-enoate
2-{[5,6-dimethoxy-3-(6-methoxy-2H-1,3-benzodioxol-5-yl)-4-oxo-4H-chromen-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2Z)-3-(4-hydroxyphenyl)prop-2-enoic acid
2-{[5,6-dimethoxy-3-(6-methoxy-2H-1,3-benzodioxol-5-yl)-4-oxochromen-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2Z)-3-(4-hydroxyphenyl)prop-2-enoate
7-Hydroxy-5,6,6'-trimethoxy-3',4'-methylenedioxyisoflavone 7-O-(2''-P-coumaroylglucoside)

hmdb:HMDB41151 		secondary/obsolete/fantasy identifier