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CHEBI:168108 - 3,11,12-Trihydroxy-1(10)-spirovetiven-2-one

ChEBI IDCHEBI:168108
ChEBI Name3,11,12-Trihydroxy-1(10)-spirovetiven-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O4
Net Charge0
Average Mass268.353
Monoisotopic Mass268.16746
SMILESCC1=CC(=O)C(O)C(C)C12CCC(C(C)(O)CO)C2
InChIInChI=1S/C15H24O4/c1-9-6-12(17)13(18)10(2)15(9)5-4-11(7-15)14(3,19)8-16/h6,10-11,13,16,18-19H,4-5,7-8H2,1-3H3
InChIKeyDQOOWVDEQWNBKX-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)
3,11,12-Trihydroxy-1(10)-spirovetiven-2-one (CHEBI:168108) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
3-(1,2-dihydroxypropan-2-yl)-7-hydroxy-6,10-dimethylspiro[4.5]dec-9-en-8-one
Manual XrefsDatabases
HMDB0038154HMDB
470200ChemSpider