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4-hydroxyestrone

Properties

Image

Occurences in reactions

MNX_ID

MNXM735072

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	4

formula

C₁₈H₂₂O₃

charge

mass

286.15689

reference

InChIKey

XQZVQQZZOVBNLU-KQWCVQSUSA-N

InChI

InChI=1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11?,12?,14?,18-/m1/s1

SMILES

C[C@@]12CCC3c4ccc(O)c(O)c4CCC3C1CCC2=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
bigg.metabolite:CE2180 biggM:CE2180	4-hydroxyestrone
hmdb:HMDB0005895	4-Hydroxyestrone (15R)-5,6-dihydroxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-trien-14-one 1,3,5(10)-Estratriene-3,4-diol-17-one 3,4-Dihydroxy-1,3,5(10)-estratrien-17-one 3,4-Dihydroxy-estra-1,3,5(10)-trien-17-one 3,4-Dihydroxyestra-1,3,5(10)-trien-17-one 4-Hydroxy catechol estrogen 4OHEs Estra-1,3,5(10)-triene-3,4-diol-17-one
hmdb:HMDB05895 biggM:M_CE2180	secondary/obsolete/fantasy identifier