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Cerivastatin-M24

PropertiesImage
MNX_IDMNXM1582205 Image of MNXM1582205
referencevmhM:crvsm24
vmhM:crvsm24
formulaC25H31FNO6
global charge-1
mol weight460.522
InChIKeyCVSJELVTQWZNFH-AMLKPOKHSA-M
InChIInChI=1S/C25H32FNO6/c1-14(2)24-20(9-8-18(30)10-19(31)11-22(32)33)23(16-4-6-17(26)7-5-16)21(13-29)25(27-24)15(3)12-28/h4-9,14-15,18-19,28-31H,10-13H2,1-3H3,(H,32,33)/p-1/b9-8+/t15?,18-,19-/m1/s1
SMILESCC(C)c1nc(C(C)CO)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/C25H32FNO6/c1-14(2)24-20(9-8-18(30)10-19(31)11-22(32)33)23(16-4-6-17(26)7-5-16)21(13-29)25(27-24)15(3)12-28/h4-9,14-15,18-19,28-31H,10-13H2,1-3H3,(H,32,33)/b9-8+/t15?,18-,19-/m1/s1 Image of MNXM1582205
SMILES (mnx)[CH3:1][CH:14]([CH3:2])[c:24]1[c:20](/[CH:9]=[CH:8]/[C@H:18]([CH2:10][C@H:19]([CH2:11][C:22]([OH:32])=[O:33])[OH:31])[OH:30])[c:23](-[c:16]2[cH:4][cH:6][c:17]([F:26])[cH:7][cH:5]2)[c:21]([CH2:13][OH:29])[c:25]([CH:15]([CH3:3])[CH2:12][OH:28])[n:27]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

vmhM:crvsm24
vmhM:crvsm24
vmhmetabolite:crvsm24
vmhmetabolite:crvsm24
CVSJELVTQWZNFH-AMLKPOKHSA-M 		Cerivastatin-M24

vmhM:M_crvsm24 		secondary/obsolete/fantasy identifier