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2-Hydroxy-3-methoxyestrone

PropertiesImage
MNX_IDMNXM1363408 Image of MNXM1363408
referencechebi:166764
formulaC19H24O3
global charge0
mol weight300.398
InChIKeyYBCPNMOFBUWYTP-ACOLZQMSSA-N
InChIInChI=1S/C19H24O3/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/h9-10,12-13,15,20H,3-8H2,1-2H3/t12?,13?,15?,19-/m1/s1
SMILESCOC1=CC2=C(C=C1O)C1CC[C@@]3(C)C(=O)CCC3C1CC2
MNX internals
InChI (mnx)InChI=1/C19H24O3/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/h9-10,12-13,15,20H,3-8H2,1-2H3/t12?,13?,15?,19-/m1/s1 Image of MNXM1363408
SMILES (mnx)[CH3:1][C@@:19]12[CH2:8][CH2:7][CH:12]3[CH: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)[CH:15]1[CH2:5][CH2:6][C:18]2=[O:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:166764
chebi:166764
YBCPNMOFBUWYTP-ACOLZQMSSA-N 		2-Hydroxy-3-methoxyestrone
(13R)-2-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
hmdb:HMDB0011195
YBCPNMOFBUWYTP-ACOLZQMSSA-N 		2-Hydroxy-3-methoxyestrone
(15R)-4-hydroxy-5-methoxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6-trien-14-one

bigg.metabolite:CE2184
biggM:CE2184
YBCPNMOFBUWYTP-ACOLZQMSSA-N 		2-hydroxy-3-methoxyestrone

vmhM:CE2184
vmhmetabolite:CE2184
YBCPNMOFBUWYTP-ACOLZQMSSA-N 		2-hydroxy-3-methoxyestrone
(15R)-4-hydroxy-5-methoxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6-trien-14-one

hmdb:HMDB11195
biggM:M_CE2184
vmhM:M_CE2184 		secondary/obsolete/fantasy identifier