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CHEBI:168137 - (4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside

ChEBI IDCHEBI:168137
ChEBI Name(4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O8
Net Charge0
Average Mass414.495
Monoisotopic Mass414.22537
SMILESCC1=CC(=O)CC(C)C12CCC(C(C)(O)COC1OC(CO)C(O)C(O)C1O)C2
InChIInChI=1S/C21H34O8/c1-11-6-14(23)7-12(2)21(11)5-4-13(8-21)20(3,27)10-28-19-18(26)17(25)16(24)15(9-22)29-19/h6,12-13,15-19,22,24-27H,4-5,7-10H2,1-3H3
InChIKeyFSQYQQPZIHCQMQ-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)
(4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside (CHEBI:168137) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
3-[2-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-6,10-dimethylspiro[4.5]dec-9-en-8-one
Manual XrefsDatabases
HMDB0030895HMDB
74886379ChemSpider