input word = C00056556

Metabolite InformationStructural formula
Name Fumonisin A2
Formula C36H61NO15
Mw 747.40412029
CAS RN 117415-47-1
C_ID C00056556
InChIKey GQCJWFPDXATUKS-BONHSZTRSA-N
InChICode InChI=1S/C36H61NO15/c1-6-7-13-22(3)34(52-33(46)19-26(36(49)50)17-31(43)44)29(51-32(45)18-25(35(47)48)16-30(41)42)15-21(2)12-10-8-9-11-14-27(39)20-28(40)23(4)37-24(5)38/h21-23,25-29,34,39-40H,6-20H2,1-5H3,(H,37,38)(H,41,42)(H,43,44)(H,47,48)(H,49,50)/t21-,22+,23-,25+,26+,27+,28-,29-,34?/m0/s1
SMILES CCCC[C@@H](C)C(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)NC(C)=O)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)