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CHEBI:201039 - Open-Chain Fusarin C

ChEBI IDCHEBI:201039
ChEBI NameOpen-Chain Fusarin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H29NO7
Net Charge0
Average Mass431.485
Monoisotopic Mass431.19440
SMILESC/C=C(\C=C(C)\C=C(C)\C=C\C=C(/C)C(=O)[C@]1(C(N)=O)O[C@H]1C(=O)CCO)C(=O)OC
InChIInChI=1S/C23H29NO7/c1-6-17(21(28)30-5)13-15(3)12-14(2)8-7-9-16(4)19(27)23(22(24)29)20(31-23)18(26)10-11-25/h6-9,12-13,20,25H,10-11H2,1-5H3,(H2,24,29)/b8-7+,14-12+,15-13+,16-9+,17-6+/t20-,23-/m0/s1
InChIKeyNPNHTIINNIMBKL-DFBPGSKZSA-N
Species of MetaboliteComponentSourceComments
Fusarium (ncbitaxon:5506) - PubMed (22540270)
ChEBI Ontology
Outgoing Relation(s)
Open-Chain Fusarin C (CHEBI:201039) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
methyl (2E,3E,5E,7E,9E)-11-[(2R,3R)-2-carbamoyl-3-(3-hydroxypropanoyl)oxiran-2-yl]-2-ethylidene-4,6,10-trimethyl-11-oxoundeca-3,5,7,9-tetraenoate
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78440843ChemSpider