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CHEBI:168671 - 1-Octen-3-yl primeveroside

ChEBI IDCHEBI:168671
ChEBI Name1-Octen-3-yl primeveroside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H34O10
Net Charge0
Average Mass422.471
Monoisotopic Mass422.21520
SMILESC=CC(CCCCC)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C19H34O10/c1-3-5-6-7-10(4-2)28-19-17(25)15(23)14(22)12(29-19)9-27-18-16(24)13(21)11(20)8-26-18/h4,10-25H,2-3,5-9H2,1H3
InChIKeyVXNMHZVTDWLWRX-UHFFFAOYSA-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)
1-Octen-3-yl primeveroside (CHEBI:168671) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
2-oct-1-en-3-yloxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0032960HMDB
22370001ChemSpider
LMFA13010064LIPID MAPS