**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

Estrone-2,3-quinone

Properties Image MNX_ID MNXM737717 reference biggM:CE5252 formula C18H20O3 global charge 0 mol weight 284.355 InChIKey WFPLOQDPWXNOST-PEDDLLMLSA-N InChI InChI=1S/C18H20O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14H,2-7H2,1H3/t11?,12?,14?,18-/m0/s1 SMILES C[C@]12CCC3C4=CC(=O)C(=O)C=C4CCC3C1CCC2=O MNX internals InChI (mnx) InChI=1/C18H20O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14H,2-7H2,1H3/t11?,12?,14?,18-/m0/s1 SMILES (mnx) [CH3:1][C@:18]12[CH2:7][CH2:6][CH:11]3[CH:12]([CH2:3][CH2:2][C:10]4=[CH:8][C:15](=[O:19])[C:16](=[O:20])[CH:9]=[C:13]43)[CH:14]1[CH2:4][CH2:5][C:17]2=[O:21]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 9

Similar chemical compounds in external resources

Identifier	Description
bigg.metabolite:CE5252 biggM:CE5252 WFPLOQDPWXNOST-PEDDLLMLSA-N	Estrone-2,3-quinone
hmdb:HMDB0012941 WFPLOQDPWXNOST-PEDDLLMLSA-N	Estrone-2,3-quinone (15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,6-diene-4,5,14-trione Catecholestrogen quinone
vmhM:estrn2ohq vmhM:estrn2ohq vmhmetabolite:estrn2ohq vmhmetabolite:estrn2ohq WFPLOQDPWXNOST-PEDDLLMLSA-N	Estrone-2,3-quinone Catecholestrogen quinone Cell signaling agent Cellular membrane Cytoplasma Digestion Extracellular region Fauna Lipid metabolic process Liver tissue Membrane integrity agent Membrane stability agent Signal transduction Signaling agent Signalling molecule Surface-active agent
hmdb:HMDB12941 vmhM:CE5252 vmhM:CE5252 biggM:M_CE5252 vmhM:M_estrn2ohq	secondary/obsolete/fantasy identifier