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CHEBI:188685 - Zanoterone

ChEBI IDCHEBI:188685
ChEBI NameZanoterone
Stars
SubmitterMetaboLights
DownloadsMolfile

FormulaC23H32N2O3S
Net Charge0
Average Mass416.587
Monoisotopic Mass416.21336
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@@]4(O)C#C)[C@@]1(C)Cc1cn(S(C)(=O)=O)nc1C2
InChIInChI=1S/C23H32N2O3S/c1-5-23(26)11-9-19-17-7-6-16-12-20-15(14-25(24-20)29(4,27)28)13-21(16,2)18(17)8-10-22(19,23)3/h1,14,16-19,26H,6-13H2,2-4H3/t16-,17+,18-,19-,21-,22-,23-/m0/s1
InChIKeyMHDDZDPNIDVLNK-ZGIWMXSJSA-N

Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
IUPAC Name 
(1S,2S,10S,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-6-methylsulonyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7-dien-17-ol
Manual XrefsDatabases
D06357KEGG DRUG
8020541ChemSpider
Registry NumbersSources
CAS:107000-34-0ChemIDplus