EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:80881 - Obtusin

ChEBI IDCHEBI:80881
ChEBI NameObtusin
Stars
Last Modified14 June 2016
DownloadsMolfile
FormulaC18H16O7
Net Charge0
Average Mass344.319
Monoisotopic Mass344.08960
SMILESCOc1cc2c(c(O)c1OC)C(=O)c1c(cc(C)c(O)c1OC)C2=O
InChIInChI=1S/C18H16O7/c1-7-5-8-12(18(25-4)13(7)19)15(21)11-9(14(8)20)6-10(23-2)17(24-3)16(11)22/h5-6,19,22H,1-4H3
InChIKeyCFLNHFUPWNRWJA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Obtusin (CHEBI:80881) is a dihydroxyanthraquinone (CHEBI:37484)
Manual XrefsDatabases
C17040KEGG COMPOUND
Registry NumbersSources
CAS:70588-05-5KEGG COMPOUND