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CHEBI:208396 - Chrysogenolide E

ChEBI IDCHEBI:208396
ChEBI NameChrysogenolide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26O7
Net Charge0
Average Mass426.465
Monoisotopic Mass426.16785
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@H]23
InChIInChI=1S/C24H26O7/c1-10-18-16-17-19(28-10)30-20(26)22(17,4)8-13-23(16,5)14(29-18)6-11-12(24(13)9-27-24)7-15(25)31-21(11,2)3/h6-7,10,13-14,17,19H,8-9H2,1-5H3/t10-,13-,14+,17-,19-,22-,23-,24+/m1/s1
InChIKeyRGQOTIXSCBSMSR-UHRNAULPSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (28960979)
ChEBI Ontology
Outgoing Relation(s)
Chrysogenolide E (CHEBI:208396) is a furopyran (CHEBI:74927)
IUPAC Name 
(1R,2R,10S,13R,15R,18R,19S,21S)-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
78439011ChemSpider