EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207898 - Phaseolorin E

ChEBI IDCHEBI:207898
ChEBI NamePhaseolorin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16O7
Net Charge0
Average Mass308.286
Monoisotopic Mass308.08960
SMILESC[C@H]1C[C@H](O)[C@]2(O)C(=O)c3c(O)cccc3O[C@@]2(CO)C1=O
InChIInChI=1S/C15H16O7/c1-7-5-10(18)15(21)13(20)11-8(17)3-2-4-9(11)22-14(15,6-16)12(7)19/h2-4,7,10,16-18,21H,5-6H2,1H3/t7-,10-,14-,15-/m0/s1
InChIKeyPLWNAXFDDOETNB-HGFQVTMISA-N
Species of MetaboliteComponentSourceComments
Diaporthe (ncbitaxon:36922) - PubMed (30897716)
ChEBI Ontology
Outgoing Relation(s)
Phaseolorin E (CHEBI:207898) is a xanthones (CHEBI:51149)
IUPAC Name 
(1S,3S,4aR,9aR)-1,8,9a-trihydroxy-4a-(hydroxymethyl)-3-methyl-2,3-dihydro-1H-xanthene-4,9-dione
Manual XrefsDatabases
73930380ChemSpider