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CHEBI:187052 - Lanugone A

ChEBI IDCHEBI:187052
ChEBI NameLanugone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O3
Net Charge0
Average Mass314.425
Monoisotopic Mass314.18819
SMILESC=CCC1C(=O)C2=C(C(=O)C1O)[C@@]1(C)CCCC(C)(C)C1C=C2
InChIInChI=1S/C20H26O3/c1-5-7-13-16(21)12-8-9-14-19(2,3)10-6-11-20(14,4)15(12)18(23)17(13)22/h5,8-9,13-14,17,22H,1,6-7,10-11H2,2-4H3/t13?,14?,17?,20-/m0/s1
InChIKeyCASURZYJSMDOEQ-CBTMWXCYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Lanugone A (CHEBI:187052) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(4bS)-3-hydroxy-4b,8,8-trimethyl-2-prop-2-enyl-2,3,5,6,7,8a-hexahydrophenanthrene-1,4-dione
Manual XrefsDatabases
24846766ChemSpider