EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:212187 - Phomopsichin A

ChEBI IDCHEBI:212187
ChEBI NamePhomopsichin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O7
Net Charge0
Average Mass320.297
Monoisotopic Mass320.08960
SMILESCOC(=O)c1cc(O)cc2oc3c(c(=O)c12)[C@H](OC)O[C@@H](C)C3
InChIInChI=1S/C16H16O7/c1-7-4-10-13(16(21-3)22-7)14(18)12-9(15(19)20-2)5-8(17)6-11(12)23-10/h5-7,16-17H,4H2,1-3H3/t7-,16+/m0/s1
InChIKeyPGWKRBJNCRRVGG-HYORBCNSSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - PubMed (27879655)
ChEBI Ontology
Outgoing Relation(s)
Phomopsichin A (CHEBI:212187) is a chromones (CHEBI:23238)
IUPAC Name 
methyl (1R,3S)-7-hydroxy-1-methoxy-3-methyl-10-oxo-3,4-dihydro-1H-pyrano[4,3-b]chromene-9-carboxylate
Manual XrefsDatabases
60596800ChemSpider