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CHEBI:215306 - Amestolkolide C

ChEBI IDCHEBI:215306
ChEBI NameAmestolkolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O9
Net Charge0
Average Mass486.517
Monoisotopic Mass486.18898
SMILESCC(=O)OCC1=C2CC(=O)OC(C)(C)C2=CC(=O)[C@]2(C)[C@@H]3C(=O)[C@@H](C)O[C@@H]4OC(=O)[C@](C)(C[C@@H]12)[C@@H]43
InChIInChI=1S/C26H30O9/c1-11-21(30)19-20-22(33-11)34-23(31)25(20,5)9-16-14(10-32-12(2)27)13-7-18(29)35-24(3,4)15(13)8-17(28)26(16,19)6/h8,11,16,19-20,22H,7,9-10H2,1-6H3/t11-,16+,19+,20-,22-,25-,26-/m1/s1
InChIKeyMZYSDGMJSZVIFW-WIJZQXSHSA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - PubMed (29197643)
ChEBI Ontology
Outgoing Relation(s)
Amestolkolide C (CHEBI:215306) is a furopyran (CHEBI:74927)
IUPAC Name 
[(1R,2S,12S,14R,17R,19R,21S)-2,6,6,14,19-pentamethyl-3,8,15,20-tetraoxo-7,16,18-trioxapentacyclo[12.6.1.02,12.05,10.017,21]henicosa-4,10-dien-11-yl]methyl acetate
Manual XrefsDatabases
71048818ChemSpider