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2-hydroxyestrone

Properties

Image

Occurences in reactions

MNX_ID

MNXM735147

	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	16

formula

C₁₈H₂₂O₃

charge

mass

286.15689

reference

InChIKey

SWINWPBPEKHUOD-JPVZDGGYSA-N

InChI

InChI=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

SMILES

C[C@]12CC[C@@H]3c4cc(O)c(O)cc4CC[C@H]3[C@@H]1CCC2=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:1156 chebi:1156	2-hydroxyestrone 2,3-dihydroxyestra-1,3,5(10)-trien-17-one 2-Hydroxyestrone
bigg.metabolite:C05298 biggM:C05298 sabiork.compound:7836 sabiorkM:7836 seed.compound:cpd03143 seedM:cpd03143 kegg.compound:C05298 keggC:C05298	2-Hydroxyestrone
hmdb:HMDB0000343	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	2-Hydroxyestrone 2,3-dihydroxy-estra-1,3,5(10)-trien-17-one O3 ST 18:4
SLM:000485704 slm:000485704	2-hydroxyestrone
envipath:...7c2298bff3eb envipathM:...7c2298bff3eb	compound 0038594
hmdb:HMDB00343 biggM:M_C05298 keggC:M_C05298 seedM:M_cpd03143	secondary/obsolete/fantasy identifier