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CHEBI:204210 - Neofusapyrone

ChEBI IDCHEBI:204210
ChEBI NameNeofusapyrone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H54O9
Net Charge0
Average Mass606.797
Monoisotopic Mass606.37678
SMILESCCCCCCC(C)C/C(C)=C\C(/C=C(C)/C=C/C(O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1)CO
InChIInChI=1S/C34H54O9/c1-7-8-9-10-11-21(2)14-23(4)16-24(19-35)15-22(3)12-13-28(39)34(5,6)29-18-26(37)30(33(41)43-29)32-31(40)27(38)17-25(20-36)42-32/h12-13,15-16,18,21,24-25,27-28,31-32,35-40H,7-11,14,17,19-20H2,1-6H3/b13-12+,22-15+,23-16-/t21?,24?,25-,27-,28?,31+,32-/m0/s1
InChIKeyHEECQDWUNPZALD-ZBNIOBMFSA-N
Species of MetaboliteComponentSourceComments
Fusarium (ncbitaxon:5506) - PubMed (17256469)
ChEBI Ontology
Outgoing Relation(s)
Neofusapyrone (CHEBI:204210) is a terpene lactone (CHEBI:37668)
IUPAC Name 
3-[(2S,3R,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-hydroxy-6-[(4E,6E,9Z)-3-hydroxy-8-(hydroxymethyl)-2,6,10,12-tetramethyloctadeca-4,6,9-trien-2-yl]pyran-2-one
Manual XrefsDatabases
31146240ChemSpider