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

ChEBI IDCHEBI:192345
ChEBI Name(13R,14R)-8-Labdene-13,14,15-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H36O3
Net Charge0
Average Mass324.505
Monoisotopic Mass324.26645
SMILESCC1=C(CCC(C)(O)C(O)CO)C2(C)CCCC(C)(C)C2CC1
InChIInChI=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
InChIKeyTWZQRBKMQYAKGQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ovis aries (ncbitaxon:9940) Rumen (NCIT:C98778) MetaboLights (MTBLS3683)
ChEBI Ontology
Outgoing Relation(s)
(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 XrefsDatabases
35013803ChemSpider
HMDB0034957HMDB