EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:37386 - aurantio-obtusin

ChEBI IDCHEBI:37386
ChEBI Nameaurantio-obtusin
Stars
DefinitionA trihydroxyanthraquinone that is 1,3,7-trihydroxy-9,10-anthraquinone which is by methoxy groups at positions 2 and 8, and by a methyl group at position 6.
Last Modified14 June 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC17H14O7
Net Charge0
Average Mass330.292
Monoisotopic Mass330.07395
SMILESCOc1c(O)cc2c(c1O)C(=O)c1c(cc(C)c(O)c1OC)C2=O
InChIInChI=1S/C17H14O7/c1-6-4-7-11(17(24-3)12(6)19)14(21)10-8(13(7)20)5-9(18)16(23-2)15(10)22/h4-5,18-19,22H,1-3H3
InChIKeyRNXZPKOEJUFJON-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
aurantio-obtusin (CHEBI:37386) is a trihydroxyanthraquinone (CHEBI:37488)
Incoming Relation(s)
aurantio-obtusin β-D-glucoside (CHEBI:28268) has functional parent aurantio-obtusin (CHEBI:37386)
IUPAC Name 
1,3,7-trihydroxy-2,8-dimethoxy-6-methylanthracene-9,10-dione
Manual XrefsDatabases
C17670KEGG COMPOUND
Registry NumbersSources
CAS:67979-25-3ChemIDplus
CAS:67979-25-3KEGG COMPOUND