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CHEBI:169797 - Hirsutidin 3-glucoside

Default Structure
ChEBI IDCHEBI:169797
ChEBI NameHirsutidin 3-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H27O12
Net Charge+1
Average Mass507.468
Monoisotopic Mass507.14970
SMILESCOc1cc(O)c2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(-c3cc(OC)c(O)c(OC)c3)[o+]c2c1
InChIInChI=1S/C24H26O12/c1-31-11-6-13(26)12-8-17(35-24-22(30)21(29)20(28)18(9-25)36-24)23(34-14(12)7-11)10-4-15(32-2)19(27)16(5-10)33-3/h4-8,18,20-22,24-25,28-30H,9H2,1-3H3,(H-,26,27)/p+1/t18?,20-,21+,22?,24-/m1/s1
InChIKeyHOQYXINLVDTZAR-WXWBQYTQSA-O
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Hirsutidin 3-glucoside (CHEBI:169797) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name 
(2S,4S,5S)-2-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
24842466ChemSpider
LMPK12010420LIPID MAPS