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CHEBI:168152 - Vogelin

ChEBI IDCHEBI:168152
ChEBI NameVogelin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O11
Net Charge0
Average Mass462.407
Monoisotopic Mass462.11621
SMILESCOc1c(O)c(O)cc2oc(-c3ccc(O[C@@H]4OC(C)[C@H](O)C(O)[C@@H]4O)cc3)c(O)c(=O)c12
InChIInChI=1S/C22H22O11/c1-8-14(24)17(27)19(29)22(31-8)32-10-5-3-9(4-6-10)20-18(28)16(26)13-12(33-20)7-11(23)15(25)21(13)30-2/h3-8,14,17,19,22-25,27-29H,1-2H3/t8?,14-,17?,19-,22-/m0/s1
InChIKeyCOJAFCZHQKNUSI-CHSYGBCRSA-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)
Vogelin (CHEBI:168152) is a flavonoids (CHEBI:72544)
Vogelin (CHEBI:168152) is a glycoside (CHEBI:24400)
IUPAC Name 
3,6,7-trihydroxy-5-methoxy-2-[4-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one
Manual XrefsDatabases
24845446ChemSpider
LMPK12112831LIPID MAPS