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CHEBI:221502 - 9a-hydroxy-1,8(14),15-isopimaratrien-3,7,11-trione

ChEBI IDCHEBI:221502
ChEBI Name9a-hydroxy-1,8(14),15-isopimaratrien-3,7,11-trione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24O4
Net Charge0
Average Mass328.408
Monoisotopic Mass328.16746
SMILESC=C[C@]1(C)C=C2C(=O)C[C@H]3C(C)(C)C(=O)C=C[C@]3(C)[C@@]2(O)C(=O)C1
InChIInChI=1S/C20H24O4/c1-6-18(4)10-12-13(21)9-14-17(2,3)15(22)7-8-19(14,5)20(12,24)16(23)11-18/h6-8,10,14,24H,1,9,11H2,2-5H3/t14-,18+,19-,20-/m0/s1
InChIKeyNWVCQOCVZQTHHM-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-3,7,11-trione (CHEBI:221502) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(4aS,4bS,7R,10aR)-7-ethenyl-4b-hydroxy-1,1,4a,7-tetramethyl-10,10a-dihydro-6H-phenanthrene-2,5,9-trione
Manual XrefsDatabases
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