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CHEBI:206530 - (4aS,7R)-7-ethenyl-4b,10-dihydroxy-1,1,4a,7-tetramethyl-3,4,5,6-tetrahydro-2H-phenanthren-9-one

ChEBI IDCHEBI:206530
ChEBI Name(4aS,7R)-7-ethenyl-4b,10-dihydroxy-1,1,4a,7-tetramethyl-3,4,5,6-tetrahydro-2H-phenanthren-9-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O3
Net Charge0
Average Mass316.441
Monoisotopic Mass316.20384
SMILESC=C[C@]1(C)C=C2C(=O)C(O)=C3C(C)(C)CCC[C@]3(C)C2(O)CC1
InChIInChI=1S/C20H28O3/c1-6-18(4)10-11-20(23)13(12-18)14(21)15(22)16-17(2,3)8-7-9-19(16,20)5/h6,12,22-23H,1,7-11H2,2-5H3/t18-,19-,20?/m0/s1
InChIKeyUUOWQGQDPSMWOB-NFBCFJMWSA-N
Species of MetaboliteComponentSourceComments
Epicoccumspecies HS-1 (ncbitaxon:1030275) - PubMed (22418279)
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
(4aS,7R)-7-ethenyl-4b,10-dihydroxy-1,1,4a,7-tetramethyl-3,4,5,6-tetrahydro-2H-phenanthren-9-one (CHEBI:206530) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(4aS,7R)-7-ethenyl-4b,10-dihydroxy-1,1,4a,7-tetramethyl-3,4,5,6-tetrahydro-2H-phenanthren-9-one
Manual XrefsDatabases
78437869ChemSpider