CHEBI:169670 - Tricycloekasantal

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Tricycloekasantal
ChEBI ID CHEBI:169670
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H18O
Net Charge 0
Average Mass 178.275
Monoisotopic Mass 178.13577
InChI InChI=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
InChIKey GBXFUOBZYUTFOP-UHFFFAOYSA-N
SMILES O=CCCC1(C2(C3C2CC1C3)C)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Tricycloekasantal (CHEBI:169670) is a monoterpenoid (CHEBI:25409)
IUPAC Name
3-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)propanal
Manual Xrefs Databases
35013331 ChemSpider
HMDB0031194 HMDB
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