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Cerivastatin-M1

PropertiesImage
MNX_IDMNXM1582202 Image of MNXM1582202
referencevmhM:crvsm1
vmhM:crvsm1
formulaC25H31FNO5
global charge-1
mol weight444.523
InChIKeyKUWDGQVSBKGOIJ-BGGMYYEUSA-M
InChIInChI=1S/C25H32FNO5/c1-14(2)24-20(10-9-18(29)11-19(30)12-22(31)32)23(16-5-7-17(26)8-6-16)21(13-28)25(27-24)15(3)4/h5-10,14-15,18-19,28-30H,11-13H2,1-4H3,(H,31,32)/p-1/b10-9+/t18-,19-/m1/s1
SMILESCC(C)c1nc(C(C)C)c(CO)c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C25H32FNO5/c1-14(2)24-20(10-9-18(29)11-19(30)12-22(31)32)23(16-5-7-17(26)8-6-16)21(13-28)25(27-24)15(3)4/h5-10,14-15,18-19,28-30H,11-13H2,1-4H3,(H,31,32)/b10-9+/t18-,19-/m1/s1 Image of MNXM1582202
SMILES (mnx)[CH3:1][CH:14]([CH3:2])[c:24]1[c:20](/[CH:10]=[CH:9]/[C@H:18]([CH2:11][C@H:19]([CH2:12][C:22]([OH:31])=[O:32])[OH:30])[OH:29])[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)11
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

vmhM:crvsm1
vmhM:crvsm1
vmhmetabolite:crvsm1
vmhmetabolite:crvsm1
KUWDGQVSBKGOIJ-BGGMYYEUSA-M 		Cerivastatin-M1

vmhM:M_crvsm1 		secondary/obsolete/fantasy identifier