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CHEBI:226975 - BE-52440A

ChEBI IDCHEBI:226975
ChEBI NameBE-52440A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H34O14S
Net Charge0
Average Mass698.699
Monoisotopic Mass698.16693
SMILESCOC(=O)C[C@H]1CC2(SC34C[C@H](CC(=O)OC)O[C@@H](C)[C@@]3(O)C(=O)c3c(O)cccc3C4=O)C(=O)c3cccc(O)c3C(=O)[C@]2(O)[C@H](C)O1
InChIInChI=1S/C34H34O14S/c1-15-33(43)29(41)25-19(7-5-9-21(25)35)27(39)31(33,13-17(47-15)11-23(37)45-3)49-32-14-18(12-24(38)46-4)48-16(2)34(32,44)30(42)26-20(28(32)40)8-6-10-22(26)36/h5-10,15-18,35-36,43-44H,11-14H2,1-4H3/t15-,16-,17-,18-,31?,32?,33+,34+/m0/s1
InChIKeyZNGDPFXOZZOOAY-GWGLQLDVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (10994810)
ChEBI Ontology
Outgoing Relation(s)
BE-52440A (CHEBI:226975) is a organic heterotricyclic compound (CHEBI:26979)
BE-52440A (CHEBI:226975) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
methyl 2-[(1S,3S,10aR)-4a-[[(1S,3S,10aR)-9,10a-dihydroxy-3-(2-methoxy-2-oxoethyl)-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-4a-yl]sulanyl]-9,10a-dihydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetate
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