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CHEBI:229515 - (Z)-Guggulsterone

ChEBI IDCHEBI:229515
ChEBI Name(Z)-Guggulsterone
Stars
Submitterntejera
DownloadsMolfile
FormulaC21H28O2
Net Charge0
Average Mass312.453
Monoisotopic Mass312.20893
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)/C(=C/C)C(=O)C[C@@]21[H]
InChIInChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1
InChIKeyWDXRGPWQVHZTQJ-OSJVMJFVSA-N
Species of MetaboliteComponentSourceComments
Homo Sapiens (ncbitaxon:9606) - MetaboLights (MTBLS8090)
ChEBI Ontology
Outgoing Relation(s)
(Z)-Guggulsterone (CHEBI:229515) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
(1Z,3aS,3bR,9aR,9bS,11aS)-1-ethylidene-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-2,7-dione