CHEBI:79492 - 3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one
ChEBI ID CHEBI:79492
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H34O
Net Charge 0
Average Mass 362.54760
Monoisotopic Mass 362.26097
InChI InChI=1S/C26H34O/c1-17(27)22-10-11-23-21-9-8-20-16-19(18-6-4-5-7-18)12-14-25(20,2)24(21)13-15-26(22,23)3/h4-7,16,21-24H,8-15H2,1-3H3/t21-,22+,23-,24-,25-,26+/m0/s1
InChIKey GNDKEWBKRBOJSG-FBQZJRKBSA-N
SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(CC[C@]4(C)[C@H]3CC[C@]12C)=C1C=CC=C1
ChEBI Ontology
Outgoing 3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one (CHEBI:79492) has parent hydride pregnane (CHEBI:8386)
3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one (CHEBI:79492) is a steroid (CHEBI:35341)
Manual Xref Database
C14968 KEGG COMPOUND
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