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17beta-Estradiol-3,4-quinone

Properties

Image

Occurences in reactions

MNX_ID

MNXM150262

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	5

formula

C₁₈H₂₂O₃

charge

mass

286.15689

reference

InChIKey

XVPUMLOTNZVTSL-BLNOFITASA-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/h4,6,11-12,14,16,20H,2-3,5,7-9H2,1H3/t11-,12-,14+,16-,18-/m0/s1

SMILES

C[C@]12CC[C@H]3C4=C(CC[C@@H]3[C@H]1CC[C@@H]2O)C(=O)C(=O)C=C4

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:174035 chebi:174035	17beta-Estradiol-3,4-quinone (8S,9R,13S,14R,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,4-dione
hmdb:HMDB0060085	17beta-Estradiol-3,4-quinone (1R,10S,11R,14S,15S)-14-hydroxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3-diene-5,6-dione 17b-Estradiol-3,4-quinone 17beta-estradiol-3,4-quinone
bigg.metabolite:CE5249 biggM:CE5249	17beta-estradiol-3,4-quinone
hmdb:HMDB60085 biggM:M_CE5249	secondary/obsolete/fantasy identifier