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CHEBI:168314 - 2-(2,5-dihydroxy-4-methoxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

ChEBI IDCHEBI:168314
ChEBI Name2-(2,5-dihydroxy-4-methoxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O12
Net Charge0
Average Mass482.438
Monoisotopic Mass482.14243
SMILESCOc1cc(O)c(C2Oc3cc(O)c(C4OC(CO)C(O)C(O)C4O)c(O)c3CC2O)cc1O
InChIInChI=1S/C22H26O12/c1-32-14-4-9(24)7(2-10(14)25)21-12(27)3-8-13(33-21)5-11(26)16(17(8)28)22-20(31)19(30)18(29)15(6-23)34-22/h2,4-5,12,15,18-31H,3,6H2,1H3
InChIKeyHSANTHNWDVNORK-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-(2,5-dihydroxy-4-methoxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol (CHEBI:168314) is a C-glycosyl compound (CHEBI:20857)
2-(2,5-dihydroxy-4-methoxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol (CHEBI:168314) is a flavonoids (CHEBI:72544)
IUPAC Name 
2-(2,5-dihydroxy-4-methoxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
Manual XrefsDatabases
HMDB0126695HMDB