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CHEBI:199375 - Insuetolide A

ChEBI IDCHEBI:199375
ChEBI NameInsuetolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O6
Net Charge0
Average Mass428.525
Monoisotopic Mass428.21989
SMILESCC1(C)OC(=O)C=C[C@]2(C)[C@@H]3C[C@@]4(C)C(=O)[C@]5(C)C[C@@H]6C(=O)OCC64O[C@@]3(CC[C@@H]12)C5
InChIInChI=1S/C25H32O6/c1-20(2)15-6-9-24-12-21(3)10-14-18(27)29-13-25(14,31-24)23(5,19(21)28)11-16(24)22(15,4)8-7-17(26)30-20/h7-8,14-16H,6,9-13H2,1-5H3/t14-,15+,16+,21-,22+,23+,24+,25?/m1/s1
InChIKeyWZMMXZUZVLVJHO-ZROKGNKJSA-N
Species of MetaboliteComponentSourceComments
Aspergillus insuetus (ncbitaxon:469274) - PubMed (21676619)
ChEBI Ontology
Outgoing Relation(s)
Insuetolide A (CHEBI:199375) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1S,4R,10S,11S,13R,15R,17S)-5,5,10,13,15-pentamethyl-6,19,22-trioxahexacyclo[13.7.1.01,11.04,10.013,21.017,21]tricos-8-ene-7,14,18-trione
Manual XrefsDatabases
78436495ChemSpider