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CHEBI:176391 - Pinnatifinoside A

ChEBI IDCHEBI:176391
ChEBI NamePinnatifinoside A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18O9
Net Charge0
Average Mass414.366
Monoisotopic Mass414.09508
SMILESO=c1cc(-c2ccc(O)cc2)oc2c3c(cc(O)c12)OC[C@]31O[C@@H](CO)[C@H](O)[C@H]1O
InChIInChI=1S/C21H18O9/c22-7-15-18(26)20(27)21(30-15)8-28-14-6-12(25)16-11(24)5-13(29-19(16)17(14)21)9-1-3-10(23)4-2-9/h1-6,15,18,20,22-23,25-27H,7-8H2/t15-,18-,20+,21-/m0/s1
InChIKeyFOVMHAAPEQFGFL-MEGFKASBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood plasma (BTO:0000131) MetaboLights (MTBLS2782) Strain: ICR Mouse [NCIT:C37408]
ChEBI Ontology
Outgoing Relation(s)
Pinnatifinoside A (CHEBI:176391) is a flavones (CHEBI:24043)
IUPAC Name 
(3'R,4'R,5'S,9R)-3',4',5-trihydroxy-5'-(hydroxymethyl)-2-(4-hydroxyphenyl)spiro[8H-uro[2,3-h]chromene-9,2'-oxolane]-4-one
Manual XrefsDatabases
LMPK12110397LIPID MAPS
24843451ChemSpider