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CHEBI:215312 - Amestolkolide D

ChEBI IDCHEBI:215312
ChEBI NameAmestolkolide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36O9
Net Charge0
Average Mass528.598
Monoisotopic Mass528.23593
SMILESCC(C)CC(=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/C29H36O9/c1-13(2)8-20(31)35-12-16-15-9-21(32)38-27(4,5)17(15)10-19(30)29(7)18(16)11-28(6)23-22(29)24(33)14(3)36-25(23)37-26(28)34/h10,13-14,18,22-23,25H,8-9,11-12H2,1-7H3/t14-,18+,22+,23-,25-,28-,29-/m1/s1
InChIKeyXJSNMILPWDUZGX-BWTYFMBNSA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - PubMed (29197643)
ChEBI Ontology
Outgoing Relation(s)
Amestolkolide D (CHEBI:215312) 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 3-methylbutanoate
Manual XrefsDatabases
71048819ChemSpider