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17beta-Estradiol-2,3-quinone

PropertiesImage
MNX_IDMNXM150261 Image of MNXM150261
referencechebi:174034
formulaC18H22O3
global charge0
mol weight286.371
InChIKeyLBSRSXWOMYPVBY-LRDWQAQRSA-N
InChIInChI=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
SMILESC[C@]12CC[C@H]3C4=CC(=O)C(=O)C=C4CC[C@@H]3[C@H]1CC[C@@H]2O
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM150261
SMILES (mnx)[CH3:1][C@:18]12[CH2:7][CH2:6][C@@H:11]3[C@H:12]([CH2:3][CH2:2][C:10]4=[CH:8][C:15](=[O:19])[C:16](=[O:20])[CH:9]=[C:13]43)[C@H:14]1[CH2:4][CH2:5][C@@H:17]2[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 9
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:174034
chebi:174034
LBSRSXWOMYPVBY-LRDWQAQRSA-N 		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
LBSRSXWOMYPVBY-LRDWQAQRSA-N 		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
vmhM:CE5250
vmhmetabolite:CE5250
LBSRSXWOMYPVBY-LRDWQAQRSA-N 		17beta-estradiol-2,3-quinone

hmdb:HMDB60084
biggM:M_CE5250
vmhM:M_CE5250 		secondary/obsolete/fantasy identifier