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CHEBI:169081 - 6-(3,4-dihydroxyphenyl)-13-hydroxy-12-(4-hydroxy-3-methoxyphenyl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,11-dioxatricyclo[8.4.0.0?,?]tetradeca-1,7,9-trien-4-one

ChEBI IDCHEBI:169081
ChEBI Name6-(3,4-dihydroxyphenyl)-13-hydroxy-12-(4-hydroxy-3-methoxyphenyl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,11-dioxatricyclo[8.4.0.0?,?]tetradeca-1,7,9-trien-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H32O14
Net Charge0
Average Mass628.583
Monoisotopic Mass628.17921
SMILESCOc1cc(C2Oc3cc(OC4OC(CO)C(O)C(O)C4O)c4c(c3CC2O)OC(=O)CC4c2ccc(O)c(O)c2)ccc1O
InChIInChI=1S/C31H32O14/c1-41-21-7-13(3-5-17(21)34)29-19(36)8-15-20(42-29)10-22(43-31-28(40)27(39)26(38)23(11-32)44-31)25-14(9-24(37)45-30(15)25)12-2-4-16(33)18(35)6-12/h2-7,10,14,19,23,26-29,31-36,38-40H,8-9,11H2,1H3
InChIKeyWCVSSCBDAFMQBR-UHFFFAOYSA-N
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-(3,4-dihydroxyphenyl)-13-hydroxy-12-(4-hydroxy-3-methoxyphenyl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,11-dioxatricyclo[8.4.0.0?,?]tetradeca-1,7,9-trien-4-one (CHEBI:169081) is a flavonoids (CHEBI:72544)
6-(3,4-dihydroxyphenyl)-13-hydroxy-12-(4-hydroxy-3-methoxyphenyl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,11-dioxatricyclo[8.4.0.0?,?]tetradeca-1,7,9-trien-4-one (CHEBI:169081) is a glycoside (CHEBI:24400)
IUPAC Name 
4-(3,4-dihydroxyphenyl)-9-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,8,9,10-tetrahydro-3H-pyrano[2,3-h]chromen-2-one
Manual XrefsDatabases
HMDB0124848HMDB