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CHEBI:169793 - 8-Hydroxyhesperetin 7-[6-acetylglucosyl-(1->2)-glucoside]

Default Structure
ChEBI IDCHEBI:169793
ChEBI Name8-Hydroxyhesperetin 7-[6-acetylglucosyl-(1->2)-glucoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H34O18
Net Charge0
Average Mass682.584
Monoisotopic Mass682.17451
SMILESCOc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4OC4OC(COC(C)=O)C(O)C(O)C4O)c(O)c3o2)cc1O
InChIInChI=1S/C30H34O18/c1-10(32)43-9-19-22(37)24(39)26(41)29(47-19)48-28-25(40)21(36)18(8-31)46-30(28)45-17-7-14(35)20-13(34)6-16(44-27(20)23(17)38)11-3-4-15(42-2)12(33)5-11/h3-7,18-19,21-22,24-26,28-31,33,35-41H,8-9H2,1-2H3
InChIKeyLORXOTCKKVEWGS-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)
8-Hydroxyhesperetin 7-[6-acetylglucosyl-(1->2)-glucoside] (CHEBI:169793) is a flavonoids (CHEBI:72544)
8-Hydroxyhesperetin 7-[6-acetylglucosyl-(1->2)-glucoside] (CHEBI:169793) is a glycoside (CHEBI:24400)
IUPAC Name 
[6-[2-[5,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Manual XrefsDatabases
HMDB0041232HMDB