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CHEBI:203035 - BE-52440B

ChEBI IDCHEBI:203035
ChEBI NameBE-52440B
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SubmitterMetaboLights
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FormulaC33H34O13S
Net Charge0
Average Mass670.689
Monoisotopic Mass670.17201
SMILESCOC(=O)C[C@H]1CC2(SC34C[C@H](CCO)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/C33H34O13S/c1-15-32(42)28(40)24-19(6-4-8-21(24)35)26(38)30(32,13-17(45-15)10-11-34)47-31-14-18(12-23(37)44-3)46-16(2)33(31,43)29(41)25-20(27(31)39)7-5-9-22(25)36/h4-9,15-18,34-36,42-43H,10-14H2,1-3H3/t15-,16-,17-,18-,30?,31?,32+,33+/m0/s1
InChIKeyFQVMROZBQLIJOI-UZPRUJGTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (10994810)
ChEBI Ontology
Outgoing Relation(s)
BE-52440B (CHEBI:203035) is a organic heterotricyclic compound (CHEBI:26979)
BE-52440B (CHEBI:203035) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
methyl 2-[(1S,3S,10aR)-4a-[[(1S,3S,10aR)-9,10a-dihydroxy-3-(2-hydroxyethyl)-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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