CHEBI:192345 - (13R,14R)-8-Labdene-13,14,15-triol

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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 (13R,14R)-8-Labdene-13,14,15-triol
ChEBI ID CHEBI:192345
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H36O3
Net Charge 0
Average Mass 324.505
Monoisotopic Mass 324.26645
InChI InChI=1S/C20H36O3/c1-14-7-8-16-18(2,3)10-6-11-19(16,4)15(14)9-12-20(5,23)17(22)13-21/h16-17,21-23H,6-13H2,1-5H3
InChIKey TWZQRBKMQYAKGQ-UHFFFAOYSA-N
SMILES OC(CCC=1C2(C(C(CCC2)(C)C)CCC1C)C)(C(O)CO)C
Metabolite of Species Details
Ovis aries (NCBI:txid9940) Found in Rumen (NCIT:C98778). See: MetaboLights Study
ChEBI Ontology
Outgoing (13R,14R)-8-Labdene-13,14,15-triol (CHEBI:192345) is a diterpenoid (CHEBI:23849)
IUPAC Name
5-(2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpentane-1,2,3-triol
Manual Xrefs Databases
35013803 ChemSpider
HMDB0034957 HMDB
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