Search MNXref
 Feedback

Estrone-2,3-quinone

MNXM52646 is deprecated and here replaced by MNXM737717
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM737717 Image of MNXM737717
referencebiggM:CE5252
formulaC18H20O3
global charge0
mol weight284.355
InChIKeyWFPLOQDPWXNOST-PEDDLLMLSA-N
InChIInChI=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
SMILESC[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 Image of MNXM737717
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)4
in models (compartimentalized) 9
Similar chemical compounds in external resources
IdentifierDescription

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:CE5252
vmhmetabolite:CE5252
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

hmdb:HMDB12941
biggM:M_CE5252
vmhM:M_CE5252 		secondary/obsolete/fantasy identifier