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CHEBI:224391 - Naquihexcin G

ChEBI IDCHEBI:224391
ChEBI NameNaquihexcin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H44O20S
Net Charge0
Average Mass888.850
Monoisotopic Mass888.21466
SMILESCOC(=O)C[C@H]1C[C@@]2(S[C@@]34C[C@H](CC(=O)OC)O[C@@H](C)[C@@]3(O)C(=O)c3c(O[C@H]5O[C@@H](C(=O)OC)[C@H](O)[C@@H](O)[C@@H]5O)cccc3C4=O)C(=O)c3cccc(O)c3C(=O)[C@]2(O)[C@H](C)O1
InChIInChI=1S/C41H44O20S/c1-16-40(53)34(50)26-20(8-6-10-22(26)42)32(48)38(40,14-18(58-16)12-24(43)55-3)62-39-15-19(13-25(44)56-4)59-17(2)41(39,54)35(51)27-21(33(39)49)9-7-11-23(27)60-37-30(47)28(45)29(46)31(61-37)36(52)57-5/h6-11,16-19,28-31,37,42,45-47,53-54H,12-15H2,1-5H3/t16-,17-,18-,19-,28+,29+,30-,31+,37-,38+,39+,40+,41+/m0/s1
InChIKeyCGKHFSGOFLJWEZ-NJELKQGRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31310115)
ChEBI Ontology
Outgoing Relation(s)
Naquihexcin G (CHEBI:224391) is a benzochromenone (CHEBI:64986)
Naquihexcin G (CHEBI:224391) is a glycoside (CHEBI:24400)
IUPAC Name 
methyl (2R,3R,4R,5S,6R)-6-[[(1S,3S,4aS,10aR)-4a-[[(1S,3S,4aS,10aR)-9,10a-dihydroxy-3-(2-methoxy-2-oxoethyl)-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-4a-yl]sulanyl]-10a-hydroxy-3-(2-methoxy-2-oxoethyl)-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate