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CHEBI:199693 - [(1R)-1-[(1S,2S)-6-[(1R,2R,10R,11S,12S)-11-[(1R)-1-acetyloxyethyl]-2,4,12-trihydroxy-12-methyl-9,14-dioxo-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-trien-5-yl]-2,5-dihydroxy-2-methyl-4,9,10-trioxo-1,3-dihydroanthracen-1-yl]ethyl] acetate

ChEBI IDCHEBI:199693
ChEBI Name[(1R)-1-[(1S,2S)-6-[(1R,2R,10R,11S,12S)-11-[(1R)-1-acetyloxyethyl]-2,4,12-trihydroxy-12-methyl-9,14-dioxo-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-trien-5-yl]-2,5-dihydroxy-2-methyl-4,9,10-trioxo-1,3-dihydroanthracen-1-yl]ethyl] acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H36O15
Net Charge0
Average Mass732.691
Monoisotopic Mass732.20542
SMILESCC(=O)O[C@H](C)[C@@H]1C2=C(C(=O)C[C@]1(C)O)C(=O)c1c(ccc(-c3ccc4c(c3O)[C@@H](O)[C@@]35O[C@]3(C4=O)[C@@H]([C@@H](C)OC(C)=O)[C@@](C)(O)CC5=O)c1O)C2=O
InChIInChI=1S/C38H36O15/c1-13(51-15(3)39)27-26-25(21(41)11-35(27,5)49)31(46)23-19(30(26)45)9-7-17(28(23)43)18-8-10-20-24(29(18)44)34(48)37-22(42)12-36(6,50)32(14(2)52-16(4)40)38(37,53-37)33(20)47/h7-10,13-14,27,32,34,43-44,48-50H,11-12H2,1-6H3/t13-,14-,27-,32+,34-,35+,36+,37-,38+/m1/s1
InChIKeyCDCASSWJFPXXOL-GPNKVXPGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces shiodaensis (ncbitaxon:285507) - PubMed (5802376)
ChEBI Ontology
Outgoing Relation(s)
[(1R)-1-[(1S,2S)-6-[(1R,2R,10R,11S,12S)-11-[(1R)-1-acetyloxyethyl]-2,4,12-trihydroxy-12-methyl-9,14-dioxo-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-trien-5-yl]-2,5-dihydroxy-2-methyl-4,9,10-trioxo-1,3-dihydroanthracen-1-yl]ethyl] acetate (CHEBI:199693) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
[(1R)-1-[(1S,2S)-6-[(1R,2R,10R,11S,12S)-11-[(1R)-1-acetyloxyethyl]-2,4,12-trihydroxy-12-methyl-9,14-dioxo-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-trien-5-yl]-2,5-dihydroxy-2-methyl-4,9,10-trioxo-1,3-dihydroanthracen-1-yl]ethyl] acetate