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2-hydroxy-3-methoxy-17beta-estradiol

PropertiesImage
MNX_IDMNXM1103353 Image of MNXM1103353
referencechebi:89268
formulaC19H26O3
global charge0
mol weight302.414
InChIKeyMMKYSUOJWFKECQ-SSTWWWIQSA-N
InChIInChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(22-2)16(20)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1
SMILESCOC1=C(O)C=C2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(22-2)16(20)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1 Image of MNXM1103353
SMILES (mnx)[CH3:1][C@:19]12[CH2:8][CH2:7][C@H:12]3[C@@H:13]([CH2:4][CH2:3][C:11]4=[CH:9][C:17]([O:22][CH3:2])=[C:16]([OH:20])[CH:10]=[C:14]43)[C@@H:15]1[CH2:5][CH2:6][C@@H:18]2[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:89268
chebi:89268
MMKYSUOJWFKECQ-SSTWWWIQSA-N 		2-hydroxy-3-methoxy-17beta-estradiol
(17beta)-3-methoxyestra-1(10),2,4-triene-2,17-diol
2,3,17beta-trihydroxy-1,3,5[10]-estratriene 2-methyl ether
2-Hydroxyestradiol-3-methyl ether
2-hydroxyestradiol 3-methyl ether
3,17beta-dihydroxy-2-methoxy-1,3,5[10]-estratriene
3-Methoxy-1,3,5[10]-estratriene-2,17beta-diol
3-O-Methyl-2-hydroxyestradiol
3-methoxyestra-1(10),2,4-triene-2,17beta-diol
hmdb:HMDB0000380
MMKYSUOJWFKECQ-SSTWWWIQSA-N 		2-Hydroxyestradiol-3-methyl ether
(17b)-3-Methoxy-estra-1,3,5(10)-triene-2,17-diol
(17b)-3-Methoxyestra-1(10),2,4-triene-2,17-diol
(17beta)-3-Methoxyestra-1(10),2,4-triene-2,17-diol
(17beta)-3-methoxyestra-1(10),2,4-triene-2,17-diol
(1S,10R,11S,14S,15S)-5-methoxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-triene-4,14-diol
(2S,3S)-2-Methylcitrate
2,3,17b-Trihydroxy-1,3,5[10]-estratriene 2-methyl ether
2,3,17beta-Trihydroxy-1,3,5[10]-estratriene 2-methyl ether
2,3,17beta-trihydroxy-1,3,5[10]-estratriene 2-methyl ether
2-Hydroxy-1,2,3-butanetricarboxylate
2-Hydroxy-1,2,3-butanetricarboxylic acid
2-Hydroxy-17b-estradiol 3-methyl ether
2-Hydroxy-3-methoxy-17b-estradiol
2-Hydroxy-3-methoxy-17beta-estradiol
2-Hydroxy-3-methoxyestradiol
2-Hydroxybutane-1,2,3-tricarboxylate
2-Hydroxybutane-1,2,3-tricarboxylic acid
2-Hydroxyestradiol 3-methyl ether
2-Hydroxyestradiol-3-methylether2-hydroxy-3-methoxy-17beta-estradiol
2-Methylcitrate
2-Methylcitric acid, 3H-labeled
2-OH-3-MeOE2
2H3MeOE2
3,17b-Dihydroxy-2-methoxy-1,3,5[10]-estratriene
3,17beta-Dihydroxy-2-methoxy-1,3,5[10]-estratriene
3,17beta-dihydroxy-2-methoxy-1,3,5[10]-estratriene
3-Carboxy-3-hydroxy-2-methylpentanedioic acid
3-Methoxy-1,3,5[10]-estratriene-2,17b-diol
3-Methoxy-1,3,5[10]-estratriene-2,17beta-diol
3-Methoxy-estra-1,3,5(10)-triene-2,17b-diol
3-O-Methyl-2-hydroxyestradiol
Methylcitric acid

lipidmaps:LMST02010051
lipidmapsM:LMST02010051
MMKYSUOJWFKECQ-SSTWWWIQSA-N 		2-Hydroxyestradiol-3-methyl ether
O3
ST 19:3

bigg.metabolite:CE2183
biggM:CE2183
SLM:000597818
slm:000597818
vmhM:CE2183
vmhmetabolite:CE2183
MMKYSUOJWFKECQ-SSTWWWIQSA-N
MMKYSUOJWFKECQ-WRWXEFHESA-N 		2-hydroxy-3-methoxy-17beta-estradiol

hmdb:HMDB00380
biggM:M_CE2183
vmhM:M_CE2183 		secondary/obsolete/fantasy identifier