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CHEBI:169914 - 2-(3,4-dihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

ChEBI IDCHEBI:169914
ChEBI Name2-(3,4-dihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H38O17
Net Charge0
Average Mass754.694
Monoisotopic Mass754.21090
SMILESCOc1cc(C2Oc3c(c(O)cc(O)c3C3c4c(cc(O)c(C5OC(CO)C(O)C(O)C5O)c4O)OC(c4ccc(O)c(O)c4)C3O)CC2O)ccc1O
InChIInChI=1S/C37H38O17/c1-51-22-7-13(3-5-16(22)40)34-21(45)8-14-17(41)9-19(43)25(36(14)54-34)28-27-23(52-35(31(28)48)12-2-4-15(39)18(42)6-12)10-20(44)26(30(27)47)37-33(50)32(49)29(46)24(11-38)53-37/h2-7,9-10,21,24,28-29,31-35,37-50H,8,11H2,1H3
InChIKeyGWCZBZXWCQWHHL-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)
2-(3,4-dihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol (CHEBI:169914) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-4-[3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
Manual XrefsDatabases
HMDB0126763HMDB