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[3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene][(6-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-oxo-5H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl]oxidanium

PropertiesImage
MNX_IDMNXM1129065 Image of MNXM1129065
referencechebi:169346
formulaC30H27O14
global charge1
mol weight611.532
InChIKeyFTQFWLGBQIDJRE-QHHAFSJGSA-O
InChIInChI=1S/C30H26O14/c31-15-9-19(34)16-11-23(29(42-22(16)10-15)14-3-5-18(33)21(36)8-14)43-30-28(40)27(39)26(38)24(44-30)12-41-25(37)6-2-13-1-4-17(32)20(35)7-13/h1-11,24,26-28,30,32-36,38-40H,12H2/p+1/b6-2+
SMILESO=C1C=C(O)C2=CC(OC3OC(COC(=[OH+])/C=C/C4=CC(O)=C(O)C=C4)C(O)C(O)C3O)=C(C3=CC(O)=C(O)C=C3)OC2=C1
MNX internals
InChI (mnx)InChI=1/C30H26O14/c31-15-9-19(34)16-11-23(29(42-22(16)10-15)14-3-5-18(33)21(36)8-14)43-30-28(40)27(39)26(38)24(44-30)12-41-25(37)6-2-13-1-4-17(32)20(35)7-13/h1-11,24,26-28,30,32-36,38-40H,12H2/b6-2+/t24?,26?,27?,28?,30? Image of MNXM1129065
SMILES (mnx)[CH:1]1=[CH:4][C:17]([OH:32])=[C:20]([OH:35])[CH:7]=[C:13]1/[CH:2]=[CH:6]/[C:25](=[O:37])[O:41][CH2:12][CH:24]1[CH:26]([OH:38])[CH:27]([OH:39])[CH:28]([OH:40])[CH:30]([O:43][C:23]2=[C:29]([C:14]3=[CH:8][C:21]([OH:36])=[C:18]([OH:33])[CH:5]=[CH:3]3)[O:42][C:22]3=[CH:10][C:15](=[O:31])[CH:9]=[C:19]([OH:34])[C:16]3=[CH:11]2)[O:44]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:169346
chebi:169346
FTQFWLGBQIDJRE-QHHAFSJGSA-O
[3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene][(6-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-oxo-5H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl]oxidanium
[(E)-3-(3,4-dihydroxyphenyl)-1-[[6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]prop-2-enylidene]oxidanium