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CHEBI:221906 - Naquihexcin B

ChEBI IDCHEBI:221906
ChEBI NameNaquihexcin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H34O12S
Net Charge0
Average Mass642.679
Monoisotopic Mass642.17710
SMILESC[C@@H]1O[C@@H](CCO)C[C@@]2(S[C@@]34C[C@H](CCO)O[C@@H](C)[C@@]3(O)C(=O)c3c(O)cccc3C4=O)C(=O)c3cccc(O)c3C(=O)[C@]12O
InChIInChI=1S/C32H34O12S/c1-15-31(41)27(39)23-19(5-3-7-21(23)35)25(37)29(31,13-17(43-15)9-11-33)45-30-14-18(10-12-34)44-16(2)32(30,42)28(40)24-20(26(30)38)6-4-8-22(24)36/h3-8,15-18,33-36,41-42H,9-14H2,1-2H3/t15-,16-,17-,18-,29+,30+,31+,32+/m0/s1
InChIKeyKXSAGAXHNBPANF-NDUBXJFPSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies HDN-10-293 (ncbitaxon:1834420) - PubMed (27341525)
ChEBI Ontology
Outgoing Relation(s)
Naquihexcin B (CHEBI:221906) is a organic heterotricyclic compound (CHEBI:26979)
Naquihexcin B (CHEBI:221906) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,3S,4aS,10aR)-4a-[[(1S,3S,4aS,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-3-(2-hydroxyethyl)-1-methyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
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