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CHEBI:169346 - [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

ChEBI IDCHEBI:169346
ChEBI Name[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
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H27O14
Net Charge+1
Average Mass611.532
Monoisotopic Mass611.13953
SMILESO=c1cc2oc(-c3ccc(O)c(O)c3)c(OC3OC(COC(=[OH+])/C=C/c4ccc(O)c(O)c4)C(O)C(O)C3O)cc-2c(O)c1
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+
InChIKeyFTQFWLGBQIDJRE-QHHAFSJGSA-O
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
[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 (CHEBI:169346) is a flavonoid (CHEBI:47916)
[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 (CHEBI:169346) is a glycoside (CHEBI:24400)
IUPAC Name 
[(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