input word = C00056537

Metabolite InformationStructural formula
Name Fumonisin B1
Formula C34H59NO15
Mw 721.38847022
CAS RN 116355-83-0
C_ID C00056537
InChIKey UVBUBMSSQKOIBE-DSLOAKGESA-N
InChICode InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)/t19-,20+,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)C[C@H](O)CCCC[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.
PlantaeCruciferaeArabidopsis thaliana Ref.
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