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CHEBI:169803 - Fumonisin C2

ChEBI IDCHEBI:169803
ChEBI NameFumonisin C2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H57NO14
Net Charge0
Average Mass691.812
Monoisotopic Mass691.37791
SMILESCCCC[C@@H](C)[C@@H](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)CN)OC(=O)C[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C33H57NO14/c1-4-5-11-21(3)31(48-30(42)17-23(33(45)46)15-28(39)40)26(47-29(41)16-22(32(43)44)14-27(37)38)13-20(2)10-8-6-7-9-12-24(35)18-25(36)19-34/h20-26,31,35-36H,4-19,34H2,1-3H3,(H,37,38)(H,39,40)(H,43,44)(H,45,46)/t20-,21+,22+,23+,24+,25-,26-,31+/m0/s1
InChIKeyQYKFBSMPFHDZBZ-SOBJHFRFSA-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 C2 (CHEBI:169803) has functional parent pentacarboxylic acid (CHEBI:35743)
Fumonisin C2 (CHEBI:169803) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2R)-2-[2-[(5R,6R,7S,9S,16R,18S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylnonadecan-7-yl]oxy-2-oxoethyl]butanedioic acid
Manual XrefsDatabases
24823224ChemSpider
LMSP01080028LIPID MAPS