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CHEBI:169620 - ({6-[(2-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-oxo-5H-chromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)[hydroxy(4-hydroxyphenyl)methylidene]oxidanium

ChEBI IDCHEBI:169620
ChEBI Name({6-[(2-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-oxo-5H-chromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)[hydroxy(4-hydroxyphenyl)methylidene]oxidanium
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H35O18
Net Charge+1
Average Mass731.636
Monoisotopic Mass731.18179
SMILESO=c1cc2oc(-c3ccc(O)c(O)c3)c(OC3OC(CO)C(O)C(O)C3OC3OC(COC(=[OH+])c4ccc(O)cc4)C(O)C(O)C3O)cc-2c(O)c1
InChIInChI=1S/C34H34O18/c35-11-23-25(41)28(44)31(52-33-29(45)27(43)26(42)24(51-33)12-47-32(46)13-1-4-15(36)5-2-13)34(50-23)49-22-10-17-19(39)8-16(37)9-21(17)48-30(22)14-3-6-18(38)20(40)7-14/h1-10,23-29,31,33-36,38-45H,11-12H2/p+1
InChIKeyQMTZXNTZHAYLQI-UHFFFAOYSA-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)
({6-[(2-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-oxo-5H-chromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)[hydroxy(4-hydroxyphenyl)methylidene]oxidanium (CHEBI:169620) is a flavonoids (CHEBI:72544)
({6-[(2-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-oxo-5H-chromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)[hydroxy(4-hydroxyphenyl)methylidene]oxidanium (CHEBI:169620) is a glycoside (CHEBI:24400)
IUPAC Name 
[[6-[2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy-(4-hydroxyphenyl)methylidene]oxidanium