CHEBI:79695 - 17-Methylandrosta-2,4-dieno[2,3-d]isoxazol-17beta-ol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 17-Methylandrosta-2,4-dieno[2,3-d]isoxazol-17beta-ol
ChEBI ID CHEBI:79695
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H29NO2
Net Charge 0
Average Mass 327.46050
Monoisotopic Mass 327.21983
InChI InChI=1S/C21H29NO2/c1-19-11-13-12-22-24-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)23/h10,12,15-17,23H,4-9,11H2,1-3H3/t15-,16+,17+,19+,20+,21+/m1/s1
InChIKey NYIRPOUXYQWAQW-OBQKJFGGSA-N
SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C
ChEBI Ontology
Outgoing 17-Methylandrosta-2,4-dieno[2,3-d]isoxazol-17beta-ol (CHEBI:79695) has parent hydride estrane (CHEBI:23966)
17-Methylandrosta-2,4-dieno[2,3-d]isoxazol-17beta-ol (CHEBI:79695) is a steroid (CHEBI:35341)
Manual Xref Database
C15177 KEGG COMPOUND
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