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Crotmadine

PropertiesImage
MNX_IDMNXM47826 Image of MNXM47826
referencelipidmapsM:LMPK12120192
formulaC20H20O4
global charge0
mol weight324.376
InChIKeyIHXFKGYLEMDOHV-WEVVVXLNSA-N
InChIInChI=1S/C20H20O4/c1-20(2)12-11-16-15(8-10-18(23)19(16)24-20)17(22)9-5-13-3-6-14(21)7-4-13/h3-10,21,23H,11-12H2,1-2H3/b9-5+
SMILESCC1(C)CCC2=C(C(=O)/C=C/C3=CC=C(O)C=C3)C=CC(O)=C2O1
MNX internals
InChI (mnx)InChI=1/C20H20O4/c1-20(2)12-11-16-15(8-10-18(23)19(16)24-20)17(22)9-5-13-3-6-14(21)7-4-13/h3-10,21,23H,11-12H2,1-2H3/b9-5+ Image of MNXM47826
SMILES (mnx)[CH3:1][C:20]1([CH3:2])[CH2:12][CH2:11][C:16]2=[C:15]([C:17](/[CH:9]=[CH:5]/[C:13]3=[CH:4][CH:7]=[C:14]([OH:21])[CH:6]=[CH:3]3)=[O:22])[CH:8]=[CH:10][C:18]([OH:23])=[C:19]2[O:24]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

lipidmaps:LMPK12120192
lipidmapsM:LMPK12120192
IHXFKGYLEMDOHV-WEVVVXLNSA-N 		Crotmadine