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CHEBI:169590 - Vulgarole

ChEBI IDCHEBI:169590
ChEBI NameVulgarole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O3
Net Charge0
Average Mass212.289
Monoisotopic Mass212.14124
SMILESCC(=O)OC1C(O)C2CCC1(C)C2(C)C
InChIInChI=1S/C12H20O3/c1-7(13)15-10-9(14)8-5-6-12(10,4)11(8,2)3/h8-10,14H,5-6H2,1-4H3
InChIKeyQRRSWTCVSAQEPQ-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)
Vulgarole (CHEBI:169590) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(3-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate
Manual XrefsDatabases
HMDB0035085HMDB
35013841ChemSpider