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CHEBI:198802 - Fusaristatin B

ChEBI IDCHEBI:198802
ChEBI NameFusaristatin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC37H59N3O8
Net Charge0
Average Mass673.892
Monoisotopic Mass673.43022
SMILESC=C1NC(=O)C(C)C(CCC(C)C(=O)/C=C/C(C)=C/CCC(C)CCCCCC)OC(=O)C(CCCC(=O)O)NC(=O)C(C)CNC1=O
InChIInChI=1S/C37H59N3O8/c1-8-9-10-11-14-24(2)15-12-16-25(3)19-21-31(41)26(4)20-22-32-28(6)35(45)39-29(7)36(46)38-23-27(5)34(44)40-30(37(47)48-32)17-13-18-33(42)43/h16,19,21,24,26-28,30,32H,7-15,17-18,20,22-23H2,1-6H3,(H,38,46)(H,39,45)(H,40,44)(H,42,43)/b21-19+,25-16+
InChIKeyGPCDCSLJICCCRP-KCBOQBCRSA-N
Species of MetaboliteComponentSourceComments
Fusariumspecies (ncbitaxon:29916) - PubMed (17551209)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Fusaristatin B (CHEBI:198802) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
4-[6,13-dimethyl-10-methylidene-2,5,9,12-tetraoxo-14-[(5E,7E)-3,7,11-trimethyl-4-oxoheptadeca-5,7-dienyl]-1-oxa-4,8,11-triazacyclotetradec-3-yl]butanoic acid
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17627956ChemSpider