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CHEBI:185530 - Wanepimedoside A

ChEBI IDCHEBI:185530
ChEBI NameWanepimedoside A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H42O15
Net Charge0
Average Mass678.684
Monoisotopic Mass678.25237
SMILESCOc1ccc(-c2oc3c(CCC(C)(C)O)c(O)cc(O)c3c(=O)c2O[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O)cc1
InChIInChI=1S/C33H42O15/c1-13-21(36)24(39)26(41)31(44-13)48-30-25(40)22(37)14(2)45-32(30)47-29-23(38)20-19(35)12-18(34)17(10-11-33(3,4)42)28(20)46-27(29)15-6-8-16(43-5)9-7-15/h6-9,12-14,21-22,24-26,30-32,34-37,39-42H,10-11H2,1-5H3/t13?,14?,21-,22-,24?,25?,26-,30-,31-,32-/m0/s1
InChIKeyBVEUNAOFYLSYJU-UQSYPMJCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Wanepimedoside A (CHEBI:185530) is a flavonoids (CHEBI:72544)
Wanepimedoside A (CHEBI:185530) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[(2S,3S,5R)-4,5-dihydroxy-6-methyl-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-methoxyphenyl)chromen-4-one
Manual XrefsDatabases
LMPK12112030LIPID MAPS
24844757ChemSpider