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CHEBI:169809 - 3,4,5-trihydroxy-2-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-2,5-dien-1-one

ChEBI IDCHEBI:169809
ChEBI Name3,4,5-trihydroxy-2-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-2,5-dien-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26O14
Net Charge0
Average Mass466.392
Monoisotopic Mass466.13226
SMILESO=C1C=C(O)C(C(O)C2OCC(O)C(O)C2O)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C18H26O14/c19-2-6-10(24)12(26)14(28)17(32-6)18(30)7(22)1-4(20)8(16(18)29)11(25)15-13(27)9(23)5(21)3-31-15/h1,5-6,9-15,17,19-21,23-30H,2-3H2
InChIKeyCIEYPAHVDYBDJO-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)
3,4,5-trihydroxy-2-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-2,5-dien-1-one (CHEBI:169809) is a C-glycosyl compound (CHEBI:20857)
IUPAC Name 
3,5,6-trihydroxy-4-[hydroxy-(3,4,5-trihydroxyoxan-2-yl)methyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-2,4-dien-1-one