CHEBI:200217 - Decalpenic acid

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ChEBI Name Decalpenic acid
ChEBI ID CHEBI:200217
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H34O2
Net Charge 0
Average Mass 366.545
Monoisotopic Mass 366.25588
InChI InChI=1S/C25H34O2/c1-5-10-22-15-14-21-17-19(2)13-16-23(21)25(22,4)18-20(3)11-8-6-7-9-12-24(26)27/h6-9,11-15,18,21-23H,5,10,16-17H2,1-4H3,(H,26,27)/b7-6+,11-8+,12-9+,20-18+/t21-,22-,23-,25-/m1/s1
InChIKey LRLMBKDNFKCUAP-DPNAJYCGSA-N
SMILES O=C(O)/C=C/C=C/C=C/C(=C/[C@]1([C@H]2[C@H](C=C[C@H]1CCC)CC(C)=CC2)C)/C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Decalpenic acid (CHEBI:200217) is a monoterpenoid (CHEBI:25409)
IUPAC Name
(2E,4E,6E,8E)-9-[(1R,2R,4aS,8aR)-1,6-dimethyl-2-propyl-4a,5,8,8a-tetrahydro-2H-naphthalen-1-yl]-8-methylnona-2,4,6,8-tetraenoic acid
Manual Xref Database
28288359 ChemSpider
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