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CHEBI:171904 - (6b,7b,13R)-6,7-Diacetoxy-8,14-labdadiene-13-ol

ChEBI IDCHEBI:171904
ChEBI Name(6b,7b,13R)-6,7-Diacetoxy-8,14-labdadiene-13-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H38O5
Net Charge0
Average Mass406.563
Monoisotopic Mass406.27192
SMILESC=CC(C)(O)CCC1=C(C)C(OC(C)=O)C(OC(C)=O)C2C(C)(C)CCCC12C
InChIInChI=1S/C24H38O5/c1-9-23(7,27)14-11-18-15(2)19(28-16(3)25)20(29-17(4)26)21-22(5,6)12-10-13-24(18,21)8/h9,19-21,27H,1,10-14H2,2-8H3
InChIKeyJVKGUKYXQMTNOK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
(6b,7b,13R)-6,7-Diacetoxy-8,14-labdadiene-13-ol (CHEBI:171904) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[2-acetyloxy-4-(3-hydroxy-3-methylpent-4-enyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-1-yl] acetate
Manual XrefsDatabases
HMDB0035288HMDB
13197715ChemSpider