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CHEBI:177649 - Anecortave

ChEBI IDCHEBI:177649
ChEBI NameAnecortave
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O4
Net Charge0
Average Mass344.451
Monoisotopic Mass344.19876
SMILES[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC=C1[C@@]3(C)CCC(=O)C=C3CC[C@]12[H]
InChIInChI=1S/C21H28O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h6,11,15,17,22,25H,3-5,7-10,12H2,1-2H3/t15-,17+,19+,20+,21+/m1/s1
InChIKeyBCFCRXOJOFDUMZ-ONKRVSLGSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Anecortave (CHEBI:177649) is a 21-hydroxy steroid (CHEBI:35344)
IUPAC Name 
(8S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
5428328ChemSpider
D01733KEGG DRUG
DB12081DrugBank
Registry NumbersSources
CAS:10184-70-0ChemIDplus