EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:208407 - Chrysogenolide G

ChEBI IDCHEBI:208407
ChEBI NameChrysogenolide G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O7
Net Charge0
Average Mass440.492
Monoisotopic Mass440.18350
SMILESCC1=C2CC(=O)OC(C)(C)C2=CC[C@@]2(C)[C@H]1C[C@@]1(C)C(=O)[C@]3(C)O[C@H]4OC(=O)[C@@]2(C3=O)[C@H]41
InChIInChI=1S/C25H28O7/c1-11-12-9-15(26)31-21(2,3)13(12)7-8-23(5)14(11)10-22(4)16-17-30-20(29)25(16,23)19(28)24(6,32-17)18(22)27/h7,14,16-17H,8-10H2,1-6H3/t14-,16+,17+,22+,23-,24-,25-/m0/s1
InChIKeyWMJMZLGVIAIFFR-BMSBYHRTSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (28960979)
ChEBI Ontology
Outgoing Relation(s)
Chrysogenolide G (CHEBI:208407) is a furopyran (CHEBI:74927)
IUPAC Name 
(1S,2S,12S,14R,16S,18S,21R)-2,6,6,11,14,16-hexamethyl-7,17,19-trioxahexacyclo[12.6.1.11,16.02,12.05,10.018,21]docosa-4,10-diene-8,15,20,22-tetrone