CHEBI:186863 - (+)-Dysideapalaunic acid

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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 (+)-Dysideapalaunic acid
ChEBI ID CHEBI:186863
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H40O2
Net Charge 0
Average Mass 372.593
Monoisotopic Mass 372.30283
InChI InChI=1S/C25H40O2/c1-18(2)9-7-14-24(5)15-8-16-25(6)21(20(4)11-13-22(24)25)12-10-19(3)17-23(26)27/h9,17,22H,7-8,10-16H2,1-6H3,(H,26,27)/b19-17+/t22?,24-,25-/m1/s1
InChIKey VMXBEUNFNFIWLY-HKAUEAINSA-N
SMILES OC(=O)\C=C(\CCC=1[C@@]2(C([C@@](CCC2)(CCC=C(C)C)C)CCC1C)C)/C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing (+)-Dysideapalaunic acid (CHEBI:186863) is a sesterterpenoid (CHEBI:26660)
IUPAC Name
(E)-5-[(5S,8aS)-2,5,8a-trimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
Manual Xref Database
24846834 ChemSpider
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