EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:199490 - Pigmentosin A

ChEBI IDCHEBI:199490
ChEBI NamePigmentosin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H26O10
Net Charge0
Average Mass546.528
Monoisotopic Mass546.15260
SMILESCOc1cc(O)c2c(O)c3c(cc2c1-c1c(OC)cc(O)c2c(O)c4c(cc12)CC(C)OC4=O)CC(C)OC3=O
InChIInChI=1S/C30H26O10/c1-11-5-13-7-15-23(27(33)21(13)29(35)39-11)17(31)9-19(37-3)25(15)26-16-8-14-6-12(2)40-30(36)22(14)28(34)24(16)18(32)10-20(26)38-4/h7-12,31-34H,5-6H2,1-4H3
InChIKeyFDWJUXZXNAQEPD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Hypotrachyna immaculata (ncbitaxon:286322) - DOI (10.1071/ch04003)
ChEBI Ontology
Outgoing Relation(s)
Pigmentosin A (CHEBI:199490) is a organic heterotricyclic compound (CHEBI:26979)
Pigmentosin A (CHEBI:199490) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
6-(9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-6-yl)-9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromen-1-one
Manual XrefsDatabases
78435424ChemSpider