input word = C00056538

Metabolite InformationStructural formula
Name Fumonisin B2
Formula C34H59NO14
Mw 705.3935556
CAS RN 116355-84-1
C_ID C00056538
InChIKey UXDPXZQHTDAXOZ-STOIETHLSA-N
InChICode InChI=1S/C34H59NO14/c1-5-6-12-21(3)32(49-31(43)18-24(34(46)47)16-29(40)41)27(48-30(42)17-23(33(44)45)15-28(38)39)14-20(2)11-9-7-8-10-13-25(36)19-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22-,23+,24+,25+,26-,27-,32+/m0/s1
SMILES CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium moniliforme Ref.
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OrganismFusarium moniliforme
ReferenceBezuidenhout, S.C. et al., Chem. Comm., 1988, 743 (isol, struct)