EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:212203 - Phomopsichin C

ChEBI IDCHEBI:212203
ChEBI NamePhomopsichin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O7
Net Charge0
Average Mass320.297
Monoisotopic Mass320.08960
SMILESCOC(=O)c1cc(OC)c(O)c2oc3c(c(=O)c12)CO[C@H](C)C3
InChIInChI=1S/C16H16O7/c1-7-4-10-9(6-22-7)13(17)12-8(16(19)21-3)5-11(20-2)14(18)15(12)23-10/h5,7,18H,4,6H2,1-3H3/t7-/m1/s1
InChIKeyIDMHVJFKTOQOTJ-SSDOTTSWSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - PubMed (27879655)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Phomopsichin C (CHEBI:212203) is a trihydroxybenzoic acid (CHEBI:27115)
IUPAC Name 
methyl (3R)-6-hydroxy-7-methoxy-3-methyl-10-oxo-3,4-dihydro-1H-pyrano[4,3-b]chromene-9-carboxylate
Manual XrefsDatabases
78443337ChemSpider