CHEBI:34339 - 3-Hydroxyestra-1,3,5(10),6-tetraen-17-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-Hydroxyestra-1,3,5(10),6-tetraen-17-one
ChEBI ID CHEBI:34339
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H20O2
Net Charge 0
Average Mass 268.351
Monoisotopic Mass 268.14633
InChI InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,14-16,19H,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
InChIKey WTRRIQCGCGCMQA-CBZIJGRNSA-N
SMILES C[C@]12CC[C@H]3[C@@H](C=Cc4cc(O)ccc34)[C@@H]1CCC2=O
ChEBI Ontology
Outgoing 3-Hydroxyestra-1,3,5(10),6-tetraen-17-one (CHEBI:34339) is a 3-hydroxy steroid (CHEBI:36834)
Synonyms Sources
3-Hydroxyestra-1,3,5(10),6-tetraen-17-one KEGG COMPOUND
6-Dehydroestrone KEGG COMPOUND
Manual Xref Database
C14650 KEGG COMPOUND
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Registry Number Type Source
2208-12-0 CAS Registry Number KEGG COMPOUND
Last Modified
20 January 2015