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4-methoxy-17beta-estradiol

MNXM37599 is deprecated and here replaced by MNXM1103375
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1103375 Image of MNXM1103375
referencechebi:136975
formulaC19H26O3
global charge0
mol weight302.414
InChIKeyBCWZIZLVBYHFES-PYEWSWHRSA-N
InChIInChI=1S/C19H26O3/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/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,17+,19+/m1/s1
SMILESCOC1=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)C2=CC=C1O
MNX internals
InChI (mnx)InChI=1/C19H26O3/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/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,17+,19+/m1/s1 Image of MNXM1103375
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@@H:17]2[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:136975
chebi:136975
BCWZIZLVBYHFES-PYEWSWHRSA-N 		4-methoxy-17beta-estradiol
(17beta)-4-methoxyestra-1,3,5(10)-triene-3,17-diol
4-MeOE2
4-Methoxy-3,17beta-dihydroxy-1,3,5[10]-estratriene
4-Methoxyestradiol
4-Methoxyestradiol-17beta
4-methoxyestra-1,3,5(10)-triene-3,17beta-diol
hmdb:HMDB0012782
BCWZIZLVBYHFES-PYEWSWHRSA-N 		4-Methoxy-17beta-estradiol
(17b)-4-Methoxyestra-1,3,5(10)-triene-3,17-diol
(17beta)-4-Methoxyestra-1,3,5(10)-triene-3,17-diol
(17beta)-4-methoxyestra-1,3,5(10)-triene-3,17-diol
(1S,10R,11S,14S,15S)-6-methoxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,14-diol
3,17beta-Dihydroxy-4-methoxy-1,3,5[10]-estratriene
3,4,17beta-Trihydroxy-1,3,5[10]-estratriene 4-methyl ether
4-ME2
4-MeOE2
4-Methoxy-1,3,5[10]-estratriene-3,17beta-diol
4-Methoxy-17b-estradiol
4-Methoxy-3,17b-dihydroxy-1,3,5[10]-estratriene
4-Methoxy-3,17beta-dihydroxy-1,3,5[10]-estratriene
4-Methoxyestradiol
4-Methoxyestradiol-17 beta
4-Methoxyestradiol-17b
4-Methoxyestradiol-17beta

lipidmaps:LMST02010055
lipidmapsM:LMST02010055
BCWZIZLVBYHFES-PYEWSWHRSA-N 		4-Methoxyestradiol-17beta
4-methoxy-estra-1,3,5(10)-triene-3,17beta-diol
O3
ST 19:3

bigg.metabolite:CE2186
biggM:CE2186
SLM:000597816
slm:000597816
BCWZIZLVBYHFES-BHFCKAAKSA-N
BCWZIZLVBYHFES-PYEWSWHRSA-N 		4-methoxy-17beta-estradiol

vmhM:CE2186
vmhmetabolite:CE2186
BCWZIZLVBYHFES-PYEWSWHRSA-N 		4-methoxy-17beta-estradiol
(1S,10R,11S,14S,15S)-6-methoxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,14-diol

hmdb:HMDB12782
biggM:M_CE2186
vmhM:M_CE2186 		secondary/obsolete/fantasy identifier