EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:220515 - Julichrome Q1.6

ChEBI IDCHEBI:220515
ChEBI NameJulichrome Q1.6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H36O13
Net Charge0
Average Mass700.693
Monoisotopic Mass700.21559
SMILESCC(=O)OC(C)C1C2=C(C(=O)CC1(C)O)C(=O)c1c(ccc(-c3ccc4cc5c(c(O)c4c3O)C(=O)CC(C)(O)C5C(C)OC(C)=O)c1O)C2=O
InChIInChI=1S/C38H36O13/c1-14(50-16(3)39)30-22-11-18-7-8-19(32(43)25(18)35(46)26(22)23(41)12-37(30,5)48)20-9-10-21-27(33(20)44)36(47)28-24(42)13-38(6,49)31(29(28)34(21)45)15(2)51-17(4)40/h7-11,14-15,30-31,43-44,46,48-49H,12-13H2,1-6H3
InChIKeyBPHXHNOOEYFVBG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces shiodaensis (ncbitaxon:285507) - DOI (10.1016/s0040-4020(01)98020-2)
ChEBI Ontology
Outgoing Relation(s)
Julichrome Q1.6 (CHEBI:220515) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
1-[6-[5-(1-acetyloxyethyl)-1,6-dihydroxy-6-methyl-8,9,10-trioxo-5,7-dihydroanthracen-2-yl]-2,5,10-trihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-1-yl]ethyl acetate
Manual XrefsDatabases
78444445ChemSpider