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CHEBI:169670 - Tricycloekasantal

ChEBI IDCHEBI:169670
ChEBI NameTricycloekasantal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O
Net Charge0
Average Mass178.275
Monoisotopic Mass178.13577
SMILESCC1(CCC=O)C2CC3C(C2)C31C
InChIInChI=1S/C12H18O/c1-11(4-3-5-13)8-6-9-10(7-8)12(9,11)2/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyGBXFUOBZYUTFOP-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)
Tricycloekasantal (CHEBI:169670) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
3-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)propanal
Manual XrefsDatabases
35013331ChemSpider
HMDB0031194HMDB