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CHEBI:223812 - Isominiolutelide A

ChEBI IDCHEBI:223812
ChEBI NameIsominiolutelide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30O10
Net Charge0
Average Mass490.505
Monoisotopic Mass490.18390
SMILESCOC(=O)O[C@@H]1C=C2C(=C(C)[C@@H]3C[C@@]4(C)C(=O)O[C@H]5O[C@@H](C)C(=O)[C@H]([C@H]13)[C@]54O)CC(=O)OC2(C)C
InChIInChI=1S/C25H30O10/c1-10-12-7-16(26)35-23(3,4)14(12)8-15(33-22(29)31-6)17-13(10)9-24(5)20(28)34-21-25(24,30)18(17)19(27)11(2)32-21/h8,11,13,15,17-18,21,30H,7,9H2,1-6H3/t11-,13-,15+,17-,18-,21+,24-,25-/m0/s1
InChIKeyPDRMUDPRIABQRI-LLCRWXGJSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (23148724)
ChEBI Ontology
Outgoing Relation(s)
Isominiolutelide A (CHEBI:223812) is a furopyran (CHEBI:74927)
IUPAC Name 
[(1R,2R,3S,12R,14R,17R,19S,21R)-21-hydroxy-6,6,11,14,19-pentamethyl-8,15,20-trioxo-7,16,18-trioxapentacyclo[12.6.1.02,12.05,10.017,21]henicosa-4,10-dien-3-yl] methyl carbonate
Manual XrefsDatabases
78441409ChemSpider