EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:220522 - Julichrome Q6.6

ChEBI IDCHEBI:220522
ChEBI NameJulichrome Q6.6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H38O12
Net Charge0
Average Mass686.710
Monoisotopic Mass686.23633
SMILESCC(=O)OC(C)C1c2cc3ccc(-c4ccc5cc6c(c(O)c5c4O)C(=O)CC(C)(O)C6C(C)OC(C)=O)c(O)c3c(O)c2C(=O)CC1(C)O
InChIInChI=1S/C38H38O12/c1-15(49-17(3)39)31-23-11-19-7-9-21(33(43)27(19)35(45)29(23)25(41)13-37(31,5)47)22-10-8-20-12-24-30(36(46)28(20)34(22)44)26(42)14-38(6,48)32(24)16(2)50-18(4)40/h7-12,15-16,31-32,43-48H,13-14H2,1-6H3
InChIKeyUYEWMDUNNUBCMC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces shiodaensis (ncbitaxon:285507) - DOI (10.1016/s0040-4020(01)98020-2)
ChEBI Ontology
Outgoing Relation(s)
Julichrome Q6.6 (CHEBI:220522) is a anthracenes (CHEBI:46955)
IUPAC Name 
1-[6-[5-(1-acetyloxyethyl)-1,6,9-trihydroxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl]-2,5,10-trihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-1-yl]ethyl acetate
Manual XrefsDatabases
78444446ChemSpider