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16-Ketoestrone

MNXM734362 is deprecated and here replaced by MNXM1108129
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1108129

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₁₈H₂₀O₃

charge

mass

284.14124

reference

InChIKey

ANPHVANSJXDRTP-BSXFFOKHSA-N

InChI

InChI=1S/C18H20O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-15,19H,2,4,6-7,9H2,1H3/t13-,14-,15+,18+/m1/s1

SMILES

C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC(=O)C2=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
sabiork.compound:21697 sabiorkM:21697 seed.compound:cpd10140 seedM:cpd10140 CHEBI:34166 chebi:34166 kegg.compound:C14441 keggC:C14441	16-Ketoestrone 3-Hydroxy-1,3,5(10)-estratriene-16,17-dione
lipidmaps:LMST02010048 lipidmapsM:LMST02010048	16-Oxoestrone O3 ST 18:5
keggC:M_C14441 seedM:M_cpd10140	secondary/obsolete/fantasy identifier