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CHEBI:89642 - Gestrinone

ChEBI IDCHEBI:89642
ChEBI NameGestrinone
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC21H24O2
Net Charge0
Average Mass308.421
Monoisotopic Mass308.17763
SMILES[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@]12[H]
InChIInChI=1S/C21H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,9,11,13,18-19,23H,3,5-8,10,12H2,1H3/t18-,19+,20+,21+/m1/s1
InChIKeyBJJXHLWLUDYTGC-ANULTFPQSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (11076067)
ChEBI Ontology
Outgoing Relation(s)
Gestrinone (CHEBI:89642) is a oxo steroid (CHEBI:35789)
Synonyms  Source
(10S,11S,14R,15S)-15-ethyl-14-ethynyl-14-hydroxytetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6,16-trien-5-oneHMDB
NemestranHMDB
GestrigoneHMDB
13-Ethyl-17a-ethynyl-17b-hydroxygona-4,9,11-trien-3-oneHMDB
(17a)-13-ethyl-17-hydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-oneHMDB
EthylnorgestrienoneHMDB
Manual XrefsDatabases
HMDB0002720HMDB
GestrinoneWikipedia
1292DrugCentral
Registry NumbersSources
CAS:16320-04-0KEGG COMPOUND
Citations