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CHEBI:198226 - 7-desmethyldeoxyneofusapyrone

ChEBI IDCHEBI:198226
ChEBI Name7-desmethyldeoxyneofusapyrone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H52O8
Net Charge0
Average Mass576.771
Monoisotopic Mass576.36622
SMILESCCCCCCC(C)C/C(C)=C\C(C)/C=C(C)/C=C/C(O)C(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1
InChIInChI=1S/C33H52O8/c1-7-8-9-10-11-20(2)14-22(4)16-23(5)15-21(3)12-13-26(35)24(6)29-18-27(36)30(33(39)41-29)32-31(38)28(37)17-25(19-34)40-32/h12-13,15-16,18,20,23-26,28,31-32,34-38H,7-11,14,17,19H2,1-6H3/b13-12+,21-15+,22-16-/t20?,23?,24?,25-,26?,28-,31+,32-/m0/s1
InChIKeyLLMOSORHDJFKHF-HRUAZXPYSA-N
Species of MetaboliteComponentSourceComments
Verticillium dahliae (ncbitaxon:27337) - PubMed (19962895)
ChEBI Ontology
Outgoing Relation(s)
7-desmethyldeoxyneofusapyrone (CHEBI:198226) 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-6,8,10,12-tetramethyloctadeca-4,6,9-trien-2-yl]pyran-2-one
Manual XrefsDatabases
24643795ChemSpider