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2-methoxyestrone

Properties

Image

Occurences in reactions

MNX_ID

MNXM4971

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	7

formula

C₁₉H₂₄O₃

charge

mass

300.17254

reference

InChIKey

WHEUWNKSCXYKBU-QPWUGHHJSA-N

InChI

InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1

SMILES

COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:1189 chebi:1189	2-methoxyestrone 2-Methoxyestrone 3=hydroxy-2-methoxyestra-1,3,5(10)-trien-17-one
bigg.metabolite:C05299 biggM:C05299 seed.compound:cpd03144 seedM:cpd03144 kegg.compound:C05299 keggC:C05299	2-Methoxyestrone
hmdb:HMDB0000010	2-Methoxyestrone (1S,10R,11S,15S)-5-hydroxy-4-methoxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-one 2-(8S,9S,13S,14S)-3-Hydroxy-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one 2-Hydroxyestrone 2-methyl ether 2-Methoxy-17-oxoestra-1,3,5(10)-trien-3-ol 2-Methoxy-3-hydroxyestra-1,3,5(10)-trien-17-one 3-Hydroxy-2-methoxy-estra-1,3,5(10)-trien-17-one 3-Hydroxy-2-methoxyestra-1,3,5(10)-trien-17-one Methoxy-estrone
lipidmaps:LMST02010033 lipidmapsM:LMST02010033	2-Methoxyestrone 2-methoxy,3-hydroxy-estra-1,3,5(10)-trien-17-one O3 ST 19:4
hmdb:HMDB00010 hmdb:HMDB0004990 hmdb:HMDB0004991 hmdb:HMDB04990 hmdb:HMDB04991 biggM:M_C05299 keggC:M_C05299 seedM:M_cpd03144	secondary/obsolete/fantasy identifier