EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:199675 - Graphisidin

ChEBI IDCHEBI:199675
ChEBI NameGraphisidin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H24O14
Net Charge0
Average Mass584.486
Monoisotopic Mass584.11661
SMILESCOC(=O)c1cc(OC)c(O)c(O)c1C(=O)c1cc(C(C)=O)c(O)c(C(=O)c2c(C(=O)OC)cc(OC)c(O)c2O)c1
InChIInChI=1S/C28H24O14/c1-10(29)12-6-11(20(30)18-13(27(37)41-4)8-16(39-2)23(33)25(18)35)7-15(21(12)31)22(32)19-14(28(38)42-5)9-17(40-3)24(34)26(19)36/h6-9,31,33-36H,1-5H3
InChIKeyLKSMKKXGGYJABY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Graphisspecies (in: ascomycete fungi) (ncbitaxon:2046666) - DOI (10.3987/com-13-12853)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
Graphisidin (CHEBI:199675) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
methyl 2-[3-acetyl-5-(2,3-dihydroxy-4-methoxy-6-methoxycarbonylbenzoyl)-4-hydroxybenzoyl]-3,4-dihydroxy-5-methoxybenzoate
Manual XrefsDatabases
78434638ChemSpider