input word = C00052431

Metabolite InformationStructural formula
Name Vinflunine
Formula C45H54F2N4O8
Mw 816.39097113
CAS RN 162652-95-1
C_ID C00052431
InChIKey NMDYYWFGPIMTKO-BUCXHQNESA-N
InChICode InChI=1S/C45H54F2N4O8/c1-8-42-14-11-16-51-17-15-43(36(42)51)30-19-31(34(56-5)20-33(30)49(4)37(43)45(55,40(54)58-7)38(42)59-25(2)52)44(39(53)57-6)21-26-18-27(41(3,46)47)23-50(22-26)24-29-28-12-9-10-13-32(28)48-35(29)44/h9-14,19-20,26-27,36-38,48,55H,8,15-18,21-24H2,1-7H3/t26-,27+,36-,37+,38+,42+,43+,44-,45-/m1/s1
SMILES CC[C@@]12C=CCN3CC[C@]4(c5cc([C@]6(C(=O)OC)C[C@H]7C[C@H](C(C)(F)F)C[N@](Cc8c6[nH]c6ccccc86)C7)c(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@H]1OC(C)=O)[C@H]32
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeVinca rosea Ref.
--Semisynthetic derivative Ref.
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