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CHEBI:208384 - Chrysogenolide C

ChEBI IDCHEBI:208384
ChEBI NameChrysogenolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32O9
Net Charge0
Average Mass488.533
Monoisotopic Mass488.20463
SMILESCOC(=O)[C@]12C(=O)[C@@H](C)O[C@@H]3OC(=O)[C@](C)(C[C@@H]4[C@]1(C)CC=C1C(=CC(=O)OC1(C)C)[C@@]4(C)O)[C@@H]32
InChIInChI=1S/C26H32O9/c1-12-18(28)26(21(30)32-7)17-19(33-12)34-20(29)23(17,4)11-15-24(26,5)9-8-13-14(25(15,6)31)10-16(27)35-22(13,2)3/h8,10,12,15,17,19,31H,9,11H2,1-7H3/t12-,15-,17-,19-,23-,24+,25-,26+/m1/s1
InChIKeyAVSVGIXGBAHHHO-POPOOAMJSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (28960979)
ChEBI Ontology
Outgoing Relation(s)
Chrysogenolide C (CHEBI:208384) is a furopyran (CHEBI:74927)
IUPAC Name 
methyl (1S,2S,11S,12R,14R,17R,19R,21R)-11-hydroxy-2,6,6,11,14,19-hexamethyl-8,15,20-trioxo-7,16,18-trioxapentacyclo[12.6.1.02,12.05,10.017,21]henicosa-4,9-diene-1-carboxylate
Manual XrefsDatabases
78439009ChemSpider