EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209964 - Sargabetaopenilline E

ChEBI IDCHEBI:209964
ChEBI NameSargabetaopenilline E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O6
Net Charge0
Average Mass298.335
Monoisotopic Mass298.14164
SMILESC[C@H]1C[C@H](O)C[C@@]2(CC3=C(CO2)C(=O)[C@](C)(O)[C@H](O)C3)O1
InChIInChI=1S/C15H22O6/c1-8-3-10(16)6-15(21-8)5-9-4-12(17)14(2,19)13(18)11(9)7-20-15/h8,10,12,16-17,19H,3-7H2,1-2H3/t8-,10-,12+,14+,15+/m0/s1
InChIKeyWSMRVKVOISZOIC-JIMHZFRISA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (25501795)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
Sargabetaopenilline E (CHEBI:209964) is a azaphilone (CHEBI:50941)
IUPAC Name 
(3R,4'S,6R,6'S,7R)-4',6,7-trihydroxy-6',7-dimethylspiro[1,4,5,6-tetrahydroisochromene-3,2'-oxane]-8-one
Manual XrefsDatabases
34981872ChemSpider