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CHEBI:200713 - Insuetolide C

ChEBI IDCHEBI:200713
ChEBI NameInsuetolide C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30O6
Net Charge0
Average Mass426.509
Monoisotopic Mass426.20424
SMILESCC1(C)OC(=O)C=C[C@]2(C)[C@@H]3CC4(C)C(=O)[C@]5(C)C=C6C(=O)OCC64O[C@@]3(CC[C@@H]12)C5
InChIInChI=1S/C25H30O6/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/h7-8,10,15-16H,6,9,11-13H2,1-5H3/t15-,16-,21+,22-,23?,24-,25?/m0/s1
InChIKeyFJUKORDKRQJGNE-XZEHWELISA-N
Species of MetaboliteComponentSourceComments
Aspergillus insuetus (ncbitaxon:469274) - PubMed (21676619)
ChEBI Ontology
Outgoing Relation(s)
Insuetolide C (CHEBI:200713) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1S,4R,10S,11S,15S)-5,5,10,13,15-pentamethyl-6,19,22-trioxahexacyclo[13.7.1.01,11.04,10.013,21.017,21]tricosa-8,16-diene-7,14,18-trione
Manual XrefsDatabases
78436655ChemSpider