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CHEBI:227724 - Purpurogenolide D

ChEBI IDCHEBI:227724
ChEBI NamePurpurogenolide D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O10
Net Charge0
Average Mass502.516
Monoisotopic Mass502.18390
SMILESCOC(=O)[C@]12[C@H]3[C@@H]4OC(=O)[C@@]3(C)C[C@H]3[C@@]1(C)[C@@H](C=C1C(=CC(=O)OC1(C)C)[C@]31CO1)O[C@@]2(O)[C@H](C)O4
InChIInChI=1S/C26H30O10/c1-11-26(30)25(20(29)31-6)17-18(33-11)34-19(28)22(17,4)9-14-23(25,5)15(35-26)7-12-13(24(14)10-32-24)8-16(27)36-21(12,2)3/h7-8,11,14-15,17-18,30H,9-10H2,1-6H3/t11-,14-,15+,17-,18-,22-,23-,24+,25+,26-/m0/s1
InChIKeyDVNMUVHPUGDIPW-AAYWPADASA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (27120704)
ChEBI Ontology
Outgoing Relation(s)
Purpurogenolide D (CHEBI:227724) is a furopyran (CHEBI:74927)
IUPAC Name 
methyl (1S,2S,10R,12R,13S,15S,18S,19S,20R,21R)-12-hydroxy-7,7,13,18,21-pentamethyl-5,17-dioxospiro[6,11,14,16-tetraoxahexacyclo[16.3.1.03,8.010,21.012,20.015,19]docosa-3,8-diene-2,2'-oxirane]-20-carboxylate
Manual XrefsDatabases
76780965ChemSpider