EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224780 - 4-epi-julichrome Q10.10A

ChEBI IDCHEBI:224780
ChEBI Name4-epi-julichrome Q10.10A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H30O10
Net Charge0
Average Mass598.604
Monoisotopic Mass598.18390
SMILESCC(=O)[C@H]1c2cc3c(-c4ccc(O)c5c(O)c6c(cc45)[C@H](C(C)=O)[C@@](C)(O)CC6=O)ccc(O)c3c(O)c2C(=O)C[C@]1(C)O
InChIInChI=1S/C34H30O10/c1-13(35)29-19-9-17-15(5-7-21(37)25(17)31(41)27(19)23(39)11-33(29,3)43)16-6-8-22(38)26-18(16)10-20-28(32(26)42)24(40)12-34(4,44)30(20)14(2)36/h5-10,29-30,37-38,41-44H,11-12H2,1-4H3/t29-,30-,33-,34-/m0/s1
InChIKeyGEPMZDMMDHUZQB-ANFUHZJESA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (32880456)
ChEBI Ontology
Outgoing Relation(s)
4-epi-julichrome Q10.10A (CHEBI:224780) is a anthracenes (CHEBI:46955)
IUPAC Name 
(3S,4S)-4-acetyl-5-[(7S,8S)-8-acetyl-4,7,10-trihydroxy-7-methyl-5-oxo-6,8-dihydroanthracen-1-yl]-3,8,9-trihydroxy-3-methyl-2,4-dihydroanthracen-1-one
Manual XrefsDatabases
94269599ChemSpider