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CHEBI:183421 - 17beta-Hydroxy-androstano[3,2-c]isoxazole

ChEBI IDCHEBI:183421
ChEBI Name17beta-Hydroxy-androstano[3,2-c]isoxazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H29NO2
Net Charge0
Average Mass315.457
Monoisotopic Mass315.21983
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](O)CC[C@@]34[H])[C@@]1(C)Cc1conc1C2
InChIInChI=1S/C20H29NO2/c1-19-8-7-16-14(15(19)5-6-18(19)22)4-3-13-9-17-12(11-23-21-17)10-20(13,16)2/h11,13-16,18,22H,3-10H2,1-2H3/t13-,14-,15-,16-,18-,19-,20-/m0/s1
InChIKeyYYWMPTGXJBPRND-YNZDMMAESA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
17beta-Hydroxy-androstano[3,2-c]isoxazole (CHEBI:183421) has parent hydride estrane (CHEBI:23966)
17beta-Hydroxy-androstano[3,2-c]isoxazole (CHEBI:183421) is a steroid (CHEBI:35341)
IUPAC Name 
(1S,2S,10S,13R,14S,17S,18S)-2,18-dimethyl-6-oxa-7-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7-dien-17-ol
Manual XrefsDatabases
35519205ChemSpider