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estra-1,5(10)-diene-3,4,17-trione

PropertiesImage
MNX_IDMNXM737719 Image of MNXM737719
referencechebi:87263
formulaC18H20O3
global charge0
mol weight284.355
InChIKeyREMSDZFYMQQJFD-QDTBLXIISA-N
InChIInChI=1S/C18H20O3/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/h4,6,11-12,14H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1
SMILESC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CCC2=O)C(=O)C(=O)C=C4
MNX internals
InChI (mnx)InChI=1/C18H20O3/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/h4,6,11-12,14H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1 Image of MNXM737719
SMILES (mnx)[CH3:1][C@:18]12[CH2:9][CH2:8][C@@H:11]3[C:10]4=[C:13]([CH2:3][CH2:2][C@H:12]3[C@@H:14]1[CH2:5][CH2:7][C:16]2=[O:20])[C:17](=[O:21])[C:15](=[O:19])[CH:6]=[CH:4]4
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:87263
chebi:87263
REMSDZFYMQQJFD-QDTBLXIISA-N 		estra-1,5(10)-diene-3,4,17-trione
1,5(10)estradiene-3,14,17-trione
3,4-estrogen o-quinone
3,4-estrone o-quinone
3,4-estrone ortho-quinone
3,4-estrone quinone
3,4-estronequinone
estrone-3,4-quinone

bigg.metabolite:CE5251
biggM:CE5251
REMSDZFYMQQJFD-PEDDLLMLSA-N 		Estrone-3,4-quinone
hmdb:HMDB0012942
REMSDZFYMQQJFD-PEDDLLMLSA-N 		Estrone-3,4-quinone
(15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3-diene-5,6,14-trione
Catecholestrogen quinone

vmhM:CE5251
vmhmetabolite:CE5251
REMSDZFYMQQJFD-QDTBLXIISA-N 		estrone-3,4-quinone
(15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3-diene-5,6,14-trione

hmdb:HMDB12942
biggM:M_CE5251
vmhM:M_CE5251 		secondary/obsolete/fantasy identifier