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Cerivastatin-M22

PropertiesImage
MNX_IDMNXM1582203 Image of MNXM1582203
referencevmhM:crvsm22
vmhM:crvsm22
formulaC25H30FNO4
global charge0
mol weight427.516
InChIKeyBAOIRTDFEMUJDE-MDZDMXLPSA-N
InChIInChI=1S/C25H30FNO4/c1-14(2)24-20(10-9-19-11-18(29)12-22(30)31-19)23(16-5-7-17(26)8-6-16)21(13-28)25(27-24)15(3)4/h5-10,14-15,18-19,28-29H,11-13H2,1-4H3/b10-9+
SMILESCC(C)c1nc(C(C)C)c(CO)c(-c2ccc(F)cc2)c1/C=C/C1CC(O)CC(=O)O1
MNX internals
InChI (mnx)InChI=1/C25H30FNO4/c1-14(2)24-20(10-9-19-11-18(29)12-22(30)31-19)23(16-5-7-17(26)8-6-16)21(13-28)25(27-24)15(3)4/h5-10,14-15,18-19,28-29H,11-13H2,1-4H3/b10-9+/t18?,19? Image of MNXM1582203
SMILES (mnx)[CH3:1][CH:14]([CH3:2])[c:24]1[c:20](/[CH:10]=[CH:9]/[CH:19]2[CH2:11][CH:18]([OH:29])[CH2:12][C:22](=[O:30])[O:31]2)[c:23](-[c:16]2[cH:5][cH:7][c:17]([F:26])[cH:8][cH:6]2)[c:21]([CH2:13][OH:28])[c:25]([CH:15]([CH3:3])[CH3:4])[n:27]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

vmhM:crvsm22
vmhM:crvsm22
vmhmetabolite:crvsm22
vmhmetabolite:crvsm22
BAOIRTDFEMUJDE-MDZDMXLPSA-N 		Cerivastatin-M22

vmhM:M_crvsm22 		secondary/obsolete/fantasy identifier