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4-methoxyestrone

PropertiesImage
MNX_IDMNXM729396 Image of MNXM729396
referencechebi:136972
formulaC19H24O3
global charge0
mol weight300.398
InChIKeyPUEXVLNGOBYUEW-BFDPJXHCSA-N
InChIInChI=1S/C19H24O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,20H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,19+/m1/s1
SMILESCOC1=C(O)C=CC2=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C19H24O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,20H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,19+/m1/s1 Image of MNXM729396
SMILES (mnx)[CH3:1][C@:19]12[CH2:10][CH2:9][C@@H:12]3[C:11]4=[CH:5][CH:7]=[C:16]([OH:20])[C:18]([O:22][CH3:2])=[C:14]4[CH2:4][CH2:3][C@H:13]3[C@@H:15]1[CH2:6][CH2:8][C:17]2=[O:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:136972
chebi:136972
PUEXVLNGOBYUEW-BFDPJXHCSA-N 		4-methoxyestrone
3-hydroxy-4-methoxyestra-1,3,5(10)-trien-17-one
4-Hydroxyestrone-4-methyl ether
4-MeOE1

lipidmaps:LMST02010057
lipidmapsM:LMST02010057
PUEXVLNGOBYUEW-BFDPJXHCSA-N 		4-Methoxyestrone
4-methoxy-estra-1,3,5(10)-trien-3-ol-17-one
O3
ST 19:4

bigg.metabolite:CE2189
biggM:CE2189
SLM:000597812
slm:000597812
vmhM:CE2189
vmhmetabolite:CE2189
PUEXVLNGOBYUEW-BFDPJXHCSA-N 		4-methoxyestrone

biggM:M_CE2189
vmhM:M_CE2189 		secondary/obsolete/fantasy identifier