EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198658 - Ligustrone B

ChEBI IDCHEBI:198658
ChEBI NameLigustrone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H14O5
Net Charge0
Average Mass310.305
Monoisotopic Mass310.08412
SMILESCOc1c2c(cc3cc(O)c4c(=O)cc(C)oc4c13)CCC2=O
InChIInChI=1S/C18H14O5/c1-8-5-12(20)16-13(21)7-10-6-9-3-4-11(19)14(9)17(22-2)15(10)18(16)23-8/h5-7,21H,3-4H2,1-2H3
InChIKeyPAPDLIMQTJVGKM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cercosporaspecies (ncbitaxon:1707699) - DOI (10.1016/s0031-9422(00)86794-1)
ChEBI Ontology
Outgoing Relation(s)
Ligustrone B (CHEBI:198658) is a organic heterotricyclic compound (CHEBI:26979)
Ligustrone B (CHEBI:198658) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
5-hydroxy-11-methoxy-2-methyl-8,9-dihydroindeno[5,6-h]chromene-4,10-dione
Manual XrefsDatabases
26286976ChemSpider