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Substance Name: Fumonisin B4
RN: 136379-60-7
InChIKey: WYYKRDVIBOEORL-YCPRMCKCSA-N

Note

  • From Fusarium moniliforme; has cancer-promoting activity.

Molecular Formula

  • C34-H59-N-O13

Molecular Weight

  • 689.834
 
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Names and Synonyms

Name of Substance

  • Fumonisin B4

Systematic Name

  • 1,2,3-Propanetricarboxylic acid, 1,1'-((1S,2R)-1-(12-amino-11-hydroxy-2-methyltridecyl)-2-((1R)-1-methylpentyl)-1,2-ethanediyl) ester

Registry Numbers

CAS Registry Number

  • 136379-60-7

System Generated Number

  • 0136379607

Structure Descriptors

InChI

1S/C34H59NO13/c1-5-6-14-22(3)32(48-31(42)20-25(34(45)46)18-29(39)40)27(47-30(41)19-24(33(43)44)17-28(37)38)16-21(2)13-11-9-7-8-10-12-15-26(36)23(4)35/h21-27,32,36H,5-20,35H2,1-4H3,(H,37,38)(H,39,40)(H,43,44)(H,45,46)/t21-,22+,23-,24?,25?,26+,27-,32+/m1/s1

InChIKey

WYYKRDVIBOEORL-YCPRMCKCSA-N

Smiles

C[C@@H](N)[C@H](CCCCCCCC[C@H](C[C@H]([C@@H](OC(C[C@@H](CC(O)=O)C(O)=O)=O)[C@H](CCCC)C)OC(=O)C[C@@H](C(=O)O)CC(O)=O)C)O