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CHEBI:169843 - Fumonisin C1

ChEBI IDCHEBI:169843
ChEBI NameFumonisin C1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H57NO15
Net Charge0
Average Mass707.811
Monoisotopic Mass707.37282
SMILESCCCC[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)CN)OC(=O)C[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C33H57NO15/c1-4-5-8-20(3)31(49-30(43)16-22(33(46)47)14-28(40)41)26(48-29(42)15-21(32(44)45)13-27(38)39)12-19(2)11-23(35)9-6-7-10-24(36)17-25(37)18-34/h19-26,31,35-37H,4-18,34H2,1-3H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t19-,20+,21+,22+,23+,24+,25-,26-,31+/m0/s1
InChIKeyIPHITBYESVEIQT-OQOKJIHQSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Fumonisin C1 (CHEBI:169843) has functional parent pentacarboxylic acid (CHEBI:35743)
Fumonisin C1 (CHEBI:169843) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2R)-2-[2-[(5R,6R,7S,9S,11R,16R,18S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-11,16,18-trihydroxy-5,9-dimethylnonadecan-7-yl]oxy-2-oxoethyl]butanedioic acid
Manual XrefsDatabases
24823223ChemSpider
LMSP01080027LIPID MAPS