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Estrone-2,3-quinone

Properties

Image

Occurences in reactions

MNX_ID

MNXM737717

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	9

formula

C₁₈H₂₀O₃

charge

mass

284.14124

reference

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
bigg.metabolite:CE5252 biggM:CE5252	Estrone-2,3-quinone
hmdb:HMDB0012941	Estrone-2,3-quinone (15S)-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,6-diene-4,5,14-trione Catecholestrogen quinone
hmdb:HMDB12941 biggM:M_CE5252	secondary/obsolete/fantasy identifier