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CHEBI:214803 - Insuetolide B

ChEBI IDCHEBI:214803
ChEBI NameInsuetolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O7
Net Charge0
Average Mass444.524
Monoisotopic Mass444.21480
SMILESCC1(C)OC(=O)C=C[C@]2(C)[C@@H]3C[C@@]4(C)C(=O)[C@@]5(C)C[C@]3(CC[C@@H]12)OC41COC(=O)[C@H]1[C@H]5O
InChIInChI=1S/C25H32O7/c1-20(2)13-6-9-24-11-22(4)17(27)16-18(28)30-12-25(16,32-24)23(5,19(22)29)10-14(24)21(13,3)8-7-15(26)31-20/h7-8,13-14,16-17,27H,6,9-12H2,1-5H3/t13-,14-,16+,17+,21-,22-,23-,24-,25?/m0/s1
InChIKeyQXZNFWAPDOLGEF-ODLCCJFCSA-N
Species of MetaboliteComponentSourceComments
Aspergillus insuetus (ncbitaxon:469274) - PubMed (21676619)
ChEBI Ontology
Outgoing Relation(s)
Insuetolide B (CHEBI:214803) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1S,4R,10S,11S,13R,15S,16R,17S)-16-hydroxy-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
78438598ChemSpider