CHEBI:181394 - Onchidal

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ChEBI Name Onchidal
ChEBI ID CHEBI:181394
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H24O3
Net Charge 0
Average Mass 276.376
Monoisotopic Mass 276.17254
InChI InChI=1S/C17H24O3/c1-13-6-5-10-17(3,4)16(13)8-7-15(12-18)9-11-20-14(2)19/h7,9,11-12,16H,1,5-6,8,10H2,2-4H3/b11-9+,15-7+
InChIKey BEKQPDFPPJFVJP-AHSQCEKMSA-N
SMILES O=C\C(=C\CC1C(CCCC1=C)(C)C)\C=C\OC(=O)C
ChEBI Ontology
Outgoing Onchidal (CHEBI:181394) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
[(1E,3E)-5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-ormylpenta-1,3-dienyl] acetate
Manual Xrefs Databases
4945331 ChemSpider
C20000 KEGG COMPOUND
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Registry Number Type Source
67656-42-2 CAS Registry Number ChemIDplus