CHEBI:230643 - Lepidiumterpenoid

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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 Lepidiumterpenoid
ChEBI ID CHEBI:230643
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H48O2
Net Charge 0
Average Mass 404.679
Monoisotopic Mass 404.36543
InChI InChI=1S/C27H48O2/c1-8-12-20(2)13-9-14-22(4)25(28)19-26(29)23(5)15-10-17-24-21(3)16-11-18-27(24,6)7/h10,17,20,22-23,26,29H,8-9,11-16,18-19H2,1-7H3/b17-10+
InChIKey JSSNFOHEHRIBDT-LICLKQGHSA-N
SMILES OC(C(C\C=C\C=1C(CCCC1C)(C)C)C)CC(=O)C(CCCC(CCC)C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing Lepidiumterpenoid (CHEBI:230643) is a diterpenoid (CHEBI:23849)
IUPAC Name
(E)-5-hydroxy-4,8,12-trimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)pentadec-1-en-7-one
Manual Xrefs Databases
8844324 ChemSpider
HMDB0036844 HMDB
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