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CHEBI:208389 - Chrysogenolide D

ChEBI IDCHEBI:208389
ChEBI NameChrysogenolide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26O8
Net Charge0
Average Mass442.464
Monoisotopic Mass442.16277
SMILESC[C@H]1O[C@@H]2OC(=O)[C@]3(C)C[C@@H]4[C@@]5(C)C(=C1O[C@H]5C=C1C(=CC(=O)OC1(C)C)[C@@]41CO1)[C@]23O
InChIInChI=1S/C24H26O8/c1-10-16-17-22(5)13(8-21(4)18(26)31-19(29-10)24(17,21)27)23(9-28-23)12-7-15(25)32-20(2,3)11(12)6-14(22)30-16/h6-7,10,13-14,19,27H,8-9H2,1-5H3/t10-,13-,14+,19-,21+,22-,23+,24+/m1/s1
InChIKeyZNOSJWPDZUFPQD-WBTZUOPNSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (28960979)
ChEBI Ontology
Outgoing Relation(s)
Chrysogenolide D (CHEBI:208389) is a furopyran (CHEBI:74927)
IUPAC Name 
(1R,2R,10S,13R,15R,18R,19R,21S)-19-hydroxy-7,7,13,18,21-pentamethylspiro[6,11,14,16-tetraoxahexacyclo[16.3.1.03,8.010,21.012,20.015,19]docosa-3,8,12(20)-triene-2,2'-oxirane]-5,17-dione
Manual XrefsDatabases
78439010ChemSpider