CHEBI:79646 - 1'H-5alpha-Androst-2-eno[3,2-b]indol-17beta-ol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1'H-5alpha-Androst-2-eno[3,2-b]indol-17beta-ol
ChEBI ID CHEBI:79646
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H33NO
Net Charge 0
Average Mass 363.53560
Monoisotopic Mass 363.25621
InChI InChI=1S/C25H33NO/c1-24-12-11-20-17(19(24)9-10-23(24)27)8-7-15-13-22-18(14-25(15,20)2)16-5-3-4-6-21(16)26-22/h3-6,15,17,19-20,23,26-27H,7-14H2,1-2H3/t15-,17-,19-,20-,23-,24-,25-/m0/s1
InChIKey XAPHYNIJAGNNNA-YFTOQCAPSA-N
SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5[nH]c6ccccc6c5C[C@]34C)[C@@H]1CC[C@@H]2O
ChEBI Ontology
Outgoing 1'H-5alpha-Androst-2-eno[3,2-b]indol-17beta-ol (CHEBI:79646) has parent hydride estrane (CHEBI:23966)
1'H-5alpha-Androst-2-eno[3,2-b]indol-17beta-ol (CHEBI:79646) is a steroid (CHEBI:35341)
Manual Xref Database
C15128 KEGG COMPOUND
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