EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211399 - Phomoeuphorbin B

ChEBI IDCHEBI:211399
ChEBI NamePhomoeuphorbin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O4
Net Charge0
Average Mass262.305
Monoisotopic Mass262.12051
SMILESC/C=C/C=C/[C@H]1CC2=C[C@@H](O)[C@@](C)(O)C(=O)C2=CO1
InChIInChI=1S/C15H18O4/c1-3-4-5-6-11-7-10-8-13(16)15(2,18)14(17)12(10)9-19-11/h3-6,8-9,11,13,16,18H,7H2,1-2H3/b4-3+,6-5+/t11-,13+,15+/m0/s1
InChIKeyMQQXGFIISQUUJF-DEKPDQROSA-N
Species of MetaboliteComponentSourceComments
Phomopsis euphorbiae (ncbitaxon:511427) - PubMed (18799173)
ChEBI Ontology
Outgoing Relation(s)
Phomoeuphorbin B (CHEBI:211399) is a benzopyran (CHEBI:22727)
IUPAC Name 
(3R,6R,7R)-6,7-dihydroxy-7-methyl-3-[(1E,3E)-penta-1,3-dienyl]-4,6-dihydro-3H-isochromen-8-one
Manual XrefsDatabases
78441102ChemSpider