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CHEBI:168502 - Acuminoside

ChEBI IDCHEBI:168502
ChEBI NameAcuminoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H36O10
Net Charge0
Average Mass448.509
Monoisotopic Mass448.23085
SMILESCC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O
InChIInChI=1S/C21H36O10/c1-12(2)5-4-6-13(3)7-8-28-19-17(25)16(24)15(23)14(31-19)9-29-20-18(26)21(27,10-22)11-30-20/h5,7,14-20,22-27H,4,6,8-11H2,1-3H3/b13-7-
InChIKeyRFFYIBOJHUSIGD-QPEQYQDCSA-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)
Acuminoside (CHEBI:168502) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
2-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0029347HMDB