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2-hydroxyestrone

PropertiesImage
MNX_IDMNXM735147 Image of MNXM735147
referencechebi:1156
formulaC18H22O3
global charge0
mol weight286.371
InChIKeySWINWPBPEKHUOD-JPVZDGGYSA-N
InChIInChI=1S/C18H22O3/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/h8-9,11-12,14,19-20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1
SMILESC[C@]12CC[C@@H]3C4=C(C=C(O)C(O)=C4)CC[C@H]3[C@@H]1CCC2=O
MNX internals
InChI (mnx)InChI=1/C18H22O3/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/h8-9,11-12,14,19-20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1 Image of MNXM735147
SMILES (mnx)[CH3:1][C@:18]12[CH2:7][CH2:6][C@H:11]3[C@@H:12]([CH2:3][CH2:2][C:10]4=[CH:8][C:15]([OH:19])=[C:16]([OH:20])[CH:9]=[C:13]43)[C@@H: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)10
in models (compartimentalized) 12
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:1156
chebi:1156
SWINWPBPEKHUOD-JPVZDGGYSA-N 		2-hydroxyestrone
2,3-dihydroxyestra-1,3,5(10)-trien-17-one
2-Hydroxyestrone

bigg.metabolite:C05298
biggM:C05298
seed.compound:cpd03143
seedM:cpd03143
sabiork.compound:7836
sabiorkM:7836
kegg.compound:C05298
keggC:C05298
SWINWPBPEKHUOD-JPVZDGGYSA-N 		2-Hydroxyestrone

vmhM:C05298
vmhmetabolite:C05298
SWINWPBPEKHUOD-JPVZDGGYSA-N 		2-Hydroxyestrone
(1S,10R,11S,15S)-4,5-dihydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-one
hmdb:HMDB0000343
SWINWPBPEKHUOD-JPVZDGGYSA-N 		2-Hydroxyestrone
(1S,10R,11S,15S)-4,5-dihydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-one
2,3-Dihydroxyestra-1,3,5(10)-trien-17-one
2-Hydroxyestrone, 4-(14)C-labeled
2-OHE1
Catecholestrone

lipidmaps:LMST02010032
lipidmapsM:LMST02010032
SWINWPBPEKHUOD-JPVZDGGYSA-N 		2-Hydroxyestrone
2,3-dihydroxy-estra-1,3,5(10)-trien-17-one
O3
ST 18:4

SLM:000485704
slm:000485704
SWINWPBPEKHUOD-JPVZDGGYSA-N 		2-hydroxyestrone

envipath:...7c2298bff3eb
envipathM:...7c2298bff3eb
SWINWPBPEKHUOD-JPVZDGGYSA-N 		compound 0038594

hmdb:HMDB00343
biggM:M_C05298
keggC:M_C05298
seedM:M_cpd03143
vmhM:M_C05298 		secondary/obsolete/fantasy identifier