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CHEBI:208378 - Chrysogenolide B

ChEBI IDCHEBI:208378
ChEBI NameChrysogenolide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O10
Net Charge0
Average Mass502.516
Monoisotopic Mass502.18390
SMILESCOC(=O)[C@]12C(=O)[C@@H](C)O[C@@H]3OC(=O)[C@](C)(C[C@H]4[C@]5(CO5)C5=CC(=O)OC(C)(C)[C@]56O[C@@H]6C[C@@]41C)[C@@H]32
InChIInChI=1S/C26H30O10/c1-11-17(28)25(20(30)31-6)16-18(33-11)34-19(29)22(16,4)8-13-23(25,5)9-14-26(35-14)12(24(13)10-32-24)7-15(27)36-21(26,2)3/h7,11,13-14,16,18H,8-10H2,1-6H3/t11-,13-,14-,16-,18-,22-,23+,24+,25+,26+/m1/s1
InChIKeyKXRODMCMGHNDAX-NMXLUNLASA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (28960979)
ChEBI Ontology
Outgoing Relation(s)
Chrysogenolide B (CHEBI:208378) is a furopyran (CHEBI:74927)
IUPAC Name 
methyl (1S,2S,4R,6S,12R,13R,15R,18R,20R,22R)-2,7,7,15,20-pentamethyl-9,16,21-trioxospiro[5,8,17,19-tetraoxahexacyclo[13.6.1.02,13.04,6.06,11.018,22]docos-10-ene-12,2'-oxirane]-1-carboxylate
Manual XrefsDatabases
90634181ChemSpider