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17beta-Estradiol-2,3-quinone

Properties

Image

Occurences in reactions

MNX_ID

MNXM150261

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

formula

C₁₈H₂₂O₃

charge

mass

286.15689

reference

InChIKey

LBSRSXWOMYPVBY-LRDWQAQRSA-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/h8-9,11-12,14,17,21H,2-7H2,1H3/t11-,12+,14-,17+,18+/m1/s1

SMILES

C[C@]12CC[C@H]3C4=CC(=O)C(=O)C=C4CC[C@@H]3[C@H]1CC[C@@H]2O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:174034 chebi:174034	17beta-Estradiol-2,3-quinone (8S,9R,13S,14R,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,3-dione
hmdb:HMDB0060084	17beta-Estradiol-2,3-quinone (1R,10S,11R,14S,15S)-14-hydroxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,6-diene-4,5-dione 17b-Estradiol-2,3-quinone 17beta-estradiol-2,3-quinone
bigg.metabolite:CE5250 biggM:CE5250	17beta-estradiol-2,3-quinone
hmdb:HMDB60084 biggM:M_CE5250	secondary/obsolete/fantasy identifier