EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:218372 - 9a-Hydroxy-1,8(14),15-isopimaratrien-3,11-dione

ChEBI IDCHEBI:218372
ChEBI Name9a-Hydroxy-1,8(14),15-isopimaratrien-3,11-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O3
Net Charge0
Average Mass314.425
Monoisotopic Mass314.18819
SMILESC=C[C@]1(C)C=C2CC[C@H]3C(C)(C)C(=O)C=C[C@]3(C)[C@@]2(O)C(=O)C1
InChIInChI=1S/C20H26O3/c1-6-18(4)11-13-7-8-14-17(2,3)15(21)9-10-19(14,5)20(13,23)16(22)12-18/h6,9-11,14,23H,1,7-8,12H2,2-5H3/t14-,18+,19-,20-/m0/s1
InChIKeyLWJWPDQQPUFVJW-WBCYEJBOSA-N
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)
9a-Hydroxy-1,8(14),15-isopimaratrien-3,11-dione (CHEBI:218372) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(4aS,4bR,7R,10aR)-7-ethenyl-4b-hydroxy-1,1,4a,7-tetramethyl-6,9,10,10a-tetrahydrophenanthrene-2,5-dione
Manual XrefsDatabases
78442717ChemSpider