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16-Ketoestrone

MNXM734362 is deprecated and here replaced by MNXM1108129
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1108129 Image of MNXM1108129
referencechebi:34166
formulaC18H20O3
global charge0
mol weight284.355
InChIKeyANPHVANSJXDRTP-BSXFFOKHSA-N
InChIInChI=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
SMILESC[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1CC(=O)C2=O
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM1108129
SMILES (mnx)[CH3:1][C@:18]12[CH2:7][CH2:6][C@@H:13]3[C:12]4=[CH:5][CH:3]=[C:11]([OH:19])[CH:8]=[C:10]4[CH2:2][CH2:4][C@H:14]3[C@@H:15]1[CH2:9][C:16](=[O:20])[C:17]2=[O:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd10140
seedM:cpd10140
sabiork.compound:21697
sabiorkM:21697
CHEBI:34166
chebi:34166
kegg.compound:C14441
keggC:C14441
ANPHVANSJXDRTP-BSXFFOKHSA-N 		16-Ketoestrone
3-Hydroxy-1,3,5(10)-estratriene-16,17-dione

lipidmaps:LMST02010048
lipidmapsM:LMST02010048
ANPHVANSJXDRTP-BSXFFOKHSA-N 		16-Oxoestrone
O3
ST 18:5

keggC:M_C14441
seedM:M_cpd10140 		secondary/obsolete/fantasy identifier