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CHEBI:192613 - 3'-Hydroxystanozolol

ChEBI IDCHEBI:192613
ChEBI Name3'-Hydroxystanozolol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32N2O2
Net Charge0
Average Mass344.499
Monoisotopic Mass344.24638
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4(C)O)[C@@]1(C)Cc1c(nnc1=O)C2
InChIInChI=1S/C21H32N2O2/c1-19-11-14-17(22-23-18(14)24)10-12(19)4-5-13-15(19)6-8-20(2)16(13)7-9-21(20,3)25/h12-13,15-16,25H,4-11H2,1-3H3,(H2,22,23,24)/t12-,13+,15-,16-,19-,20-,21-/m0/s1
InChIKeySWPAIUOYLTYQKK-YEZTZDHTSA-N
Species of MetaboliteComponentSourceComments
Valsa sordida (ncbitaxon:252740) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4463)
ChEBI Ontology
Outgoing Relation(s)
3'-Hydroxystanozolol (CHEBI:192613) has parent hydride estrane (CHEBI:23966)
3'-Hydroxystanozolol (CHEBI:192613) is a steroid (CHEBI:35341)
IUPAC Name 
(1S,2S,10S,13R,14S,17S,18S)-17-hydroxy-2,17,18-trimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icos-4(8)-en-5-one
Manual XrefsDatabases
30776569ChemSpider
HMDB0006001HMDB
Registry NumbersSources
CAS:125709-39-9ChemIDplus