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CHEBI:203979 - Julichrome-Q2,3

ChEBI IDCHEBI:203979
ChEBI NameJulichrome-Q2,3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H34O14
Net Charge0
Average Mass714.676
Monoisotopic Mass714.19486
SMILESCC(=O)O[C@@H](C)c1c(C)cc(O)c2c1C(=O)c1ccc(-c3ccc4c(c3O)[C@@H](O)[C@@]35OC3(C4=O)[C@@H]([C@@H](C)OC(C)=O)[C@@](C)(O)CC5=O)c(O)c1C2=O
InChIInChI=1S/C38H34O14/c1-13-11-22(41)27-28(24(13)14(2)50-16(4)39)31(45)20-9-7-18(29(43)25(20)32(27)46)19-8-10-21-26(30(19)44)35(48)37-23(42)12-36(6,49)33(15(3)51-17(5)40)38(37,52-37)34(21)47/h7-11,14-15,33,35,41,43-44,48-49H,12H2,1-6H3/t14-,15+,33-,35+,36-,37+,38?/m0/s1
InChIKeyUAASTADBBAWQPM-SFHWINAFSA-N
Species of MetaboliteComponentSourceComments
Streptomyces shiodaensis (ncbitaxon:285507) - PubMed (5802376)
ChEBI Ontology
Outgoing Relation(s)
Julichrome-Q2,3 (CHEBI:203979) is a anthraquinone (CHEBI:22580)
IUPAC Name 
[(1R)-1-[(1R,2R,11S,12S)-5-[5-[(1S)-1-acetyloxyethyl]-1,8-dihydroxy-6-methyl-9,10-dioxoanthracen-2-yl]-2,4,12-trihydroxy-12-methyl-9,14-dioxo-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-trien-11-yl]ethyl] acetate