CHEBI:135407 - androisoxazole

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name androisoxazole
ChEBI ID CHEBI:135407
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H31NO2
Net Charge 0
Average Mass 329.477
Monoisotopic Mass 329.23548
InChI InChI=1S/C21H31NO2/c1-19-11-13-12-24-22-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)23/h12,14-17,23H,4-11H2,1-3H3/t14-,15+,16-,17-,19-,20-,21-/m0/s1
InChIKey NSYTUNFHWYMMHU-IYRCEVNGSA-N
SMILES C[C@@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@@](CC4)(C)O)[H])(CC[C@]1(CC=5C(C2)=CON5)[H])[H])[H]
ChEBI Ontology
Outgoing androisoxazole (CHEBI:135407) has parent hydride estrane (CHEBI:23966)
androisoxazole (CHEBI:135407) is a steroid (CHEBI:35341)
Synonym Source
androxan DrugCentral
Manual Xref Database
213 DrugCentral
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Registry Number Type Source
360-66-7 CAS Registry Number DrugCentral
Last Modified
23 February 2017