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CHEBI:136364 - 13-methyl-4,4-bisnorpodocarpa-8,11,13-trien-3-one

ChEBI IDCHEBI:136364
ChEBI Name13-methyl-4,4-bisnorpodocarpa-8,11,13-trien-3-one
Stars
DefinitionA tricyclic diterpenoidthat is 4a,7-dimethyl-3,4,4a,9,10,10a-hexahydrophenanthrene in which the methylene hydrogens at position 2 have been replaced by an oxo group.
Last Modified18 January 2018
Submittermwilliams
DownloadsMolfile
FormulaC16H20O
Net Charge0
Average Mass228.335
Monoisotopic Mass228.15142
SMILES[H][C@@]12CCc3cc(C)ccc3[C@@]1(C)CCC(=O)C2
InChIInChI=1S/C16H20O/c1-11-3-6-15-12(9-11)4-5-13-10-14(17)7-8-16(13,15)2/h3,6,9,13H,4-5,7-8,10H2,1-2H3/t13-,16-/m0/s1
InChIKeyJZECOIINDLDHBV-BBRMVZONSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- MetaboLights (MTBLS364)
- PubMed (27635669)
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
13-methyl-4,4-bisnorpodocarpa-8,11,13-trien-3-one (CHEBI:136364) has role human xenobiotic metabolite (CHEBI:76967)
13-methyl-4,4-bisnorpodocarpa-8,11,13-trien-3-one (CHEBI:136364) is a carbotricyclic compound (CHEBI:38032)
13-methyl-4,4-bisnorpodocarpa-8,11,13-trien-3-one (CHEBI:136364) is a cyclic terpene ketone (CHEBI:36130)
13-methyl-4,4-bisnorpodocarpa-8,11,13-trien-3-one (CHEBI:136364) is a tricyclic diterpenoid (CHEBI:79084)
IUPAC Name 
(4aS,10aS)-4a,7-dimethyl-3,4,4a,9,10,10a-hexahydrophenanthren-2(1H)-one
Synonym  Source
13-methyl-4,4-bisnor-8,11,13-podocarpatrien-3-oneChEBI