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CHEBI:176319 - Fumonisin FP3

ChEBI IDCHEBI:176319
ChEBI NameFumonisin FP3
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FormulaC39H62NO15
Net Charge+1
Average Mass784.917
Monoisotopic Mass784.41140
SMILESCCCCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CC(O)CCCCCCC(O)C(C)[n+]1cccc(O)c1)OC(=O)CC(CC(=O)O)C(=O)O
InChIInChI=1S/C39H61NO15/c1-5-6-12-25(3)37(55-36(49)22-28(39(52)53)20-34(46)47)32(54-35(48)21-27(38(50)51)19-33(44)45)18-24(2)17-29(41)13-9-7-8-10-15-31(43)26(4)40-16-11-14-30(42)23-40/h11,14,16,23-29,31-32,37,41,43H,5-10,12-13,15,17-22H2,1-4H3,(H4-,42,44,45,46,47,50,51,52,53)/p+1
InChIKeySJFPAYWMTYRRGT-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
Fumonisin FP3 (CHEBI:176319) has functional parent pentacarboxylic acid (CHEBI:35743)
Fumonisin FP3 (CHEBI:176319) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-[2-[6-(3,4-dicarboxybutanoyloxy)-11,18-dihydroxy-19-(3-hydroxypyridin-1-ium-1-yl)-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
Manual XrefsDatabases
8852164ChemSpider
HMDB0031828HMDB