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CHEBI:189370 - Hydroxy-fumonisin C1

ChEBI IDCHEBI:189370
ChEBI NameHydroxy-fumonisin C1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H57NO16
Net Charge0
Average Mass723.810
Monoisotopic Mass723.36773
SMILESCCCC[C@@H](C)[C@@H](OC(=O)CC(CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C(O)[C@H](O)CN)OC(=O)CC(CC(=O)O)C(=O)O
InChIInChI=1S/C33H57NO16/c1-4-5-8-19(3)31(50-29(43)16-21(33(47)48)14-27(40)41)25(49-28(42)15-20(32(45)46)13-26(38)39)12-18(2)11-22(35)9-6-7-10-23(36)30(44)24(37)17-34/h18-25,30-31,35-37,44H,4-17,34H2,1-3H3,(H,38,39)(H,40,41)(H,45,46)(H,47,48)/t18-,19+,20?,21?,22+,23+,24+,25-,30?,31+/m0/s1
InChIKeyFYZZDZVZFRCZJB-MQKWQYMLSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
Hydroxy-fumonisin C1 (CHEBI:189370) has functional parent pentacarboxylic acid (CHEBI:35743)
Hydroxy-fumonisin C1 (CHEBI:189370) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-[2-[(5R,6R,7S,9S,11R,16R,18R)-19-amino-6-(3,4-dicarboxybutanoyloxy)-11,16,17,18-tetrahydroxy-5,9-dimethylnonadecan-7-yl]oxy-2-oxoethyl]butanedioic acid
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78445617ChemSpider