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CHEBI:168297 - Pisumionoside

ChEBI IDCHEBI:168297
ChEBI NamePisumionoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H32O9
Net Charge0
Average Mass404.456
Monoisotopic Mass404.20463
SMILESCC(=O)/C=C/[C@@]1(O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@]1(C)O
InChIInChI=1S/C19H32O9/c1-10(21)5-6-19(26)17(2,3)7-11(8-18(19,4)25)27-16-15(24)14(23)13(22)12(9-20)28-16/h5-6,11-16,20,22-26H,7-9H2,1-4H3/b6-5+/t11-,12+,13+,14-,15+,16+,18-,19+/m0/s1
InChIKeyPASRVRCWYGWSDQ-FBOCVPDYSA-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)
Pisumionoside (CHEBI:168297) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
(E)-4-[(1R,2S,4S)-1,2-dihydroxy-2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]but-3-en-2-one
Manual XrefsDatabases
9037641ChemSpider