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CHEBI:227714 - Purpurogenolide B

ChEBI IDCHEBI:227714
ChEBI NamePurpurogenolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32O9
Net Charge0
Average Mass488.533
Monoisotopic Mass488.20463
SMILESCOC(=O)[C@]12C(=O)[C@@](C)(O)C(=O)[C@](C)(C[C@H]3[C@@](C)(O)C4=CC(=O)OC(C)(C)C4=CC[C@@]31C)[C@]21CO1
InChIInChI=1S/C26H32O9/c1-20(2)13-8-9-21(3)15(23(5,31)14(13)10-16(27)35-20)11-22(4)17(28)24(6,32)18(29)26(21,19(30)33-7)25(22)12-34-25/h8,10,15,31-32H,9,11-12H2,1-7H3/t15-,21+,22+,23+,24+,25-,26-/m1/s1
InChIKeyXGYXSVBDXZSQAO-RGOIRPBRSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (27120704)
ChEBI Ontology
Outgoing Relation(s)
Purpurogenolide B (CHEBI:227714) is a pyranone (CHEBI:37963)
IUPAC Name 
methyl (1R,2S,11R,12R,14R,16S,18R)-11,16-dihydroxy-2,6,6,11,14,16-hexamethyl-8,15,17-trioxospiro[7-oxatetracyclo[12.3.1.02,12.05,10]octadeca-4,9-diene-18,2'-oxirane]-1-carboxylate
Manual XrefsDatabases
76785990ChemSpider