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4-hydroxyestrone

PropertiesImage
MNX_IDMNXM735073 Image of MNXM735073
referencechebi:87602
formulaC18H22O3
global charge0
mol weight286.371
InChIKeyXQZVQQZZOVBNLU-QDTBLXIISA-N
InChIInChI=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/h4,6,11-12,14,19,21H,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/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/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1 Image of MNXM735073
SMILES (mnx)[CH3:1][C@:18]12[CH2:9][CH2:8][C@@H:11]3[C:10]4=[CH:4][CH:6]=[C:15]([OH:19])[C:17]([OH:21])=[C:13]4[CH2:3][CH2:2][C@H:12]3[C@@H:14]1[CH2:5][CH2:7][C:16]2=[O:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:87602
chebi:87602
XQZVQQZZOVBNLU-QDTBLXIISA-N 		4-hydroxyestrone
3,4-dihydroxy-estra-1,3,5(10)-trien-17-one
3,4-dihydroxyestra-1,3,5(10)-trien-17-one
estra-1,3,5(10)-triene-3,4-diol-17-one

sabiork.compound:21041
sabiorkM:21041
XQZVQQZZOVBNLU-QDTBLXIISA-N 		4-Hydroxyestrone

SLM:000485711
slm:000485711
XQZVQQZZOVBNLU-QDTBLXIISA-N 		4-hydroxyestrone

lipidmaps:LMST02010056
lipidmapsM:LMST02010056
XQZVQQZZOVBNLU-QDTBLXIISA-N 		4-hydroxyestrone
3,4-dihydroxy-1,3,5(10)-estratrien-17-one
O3
ST 18:4

envipath:...e1bca309d9fb
envipathM:...e1bca309d9fb
XQZVQQZZOVBNLU-QDTBLXIISA-N 		compound 0038593