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CHEBI:224368 - Naquihexcin K

ChEBI IDCHEBI:224368
ChEBI NameNaquihexcin K
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24O13
Net Charge0
Average Mass508.432
Monoisotopic Mass508.12169
SMILESCOC(=O)C[C@H]1C[C@@]23O[C@@]2(C(=O)c2c(O[C@H]4O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]4O)cccc2C3=O)[C@H](C)O1
InChIInChI=1S/C23H24O13/c1-8-23-19(29)13-10(18(28)22(23,36-23)7-9(33-8)6-12(24)32-2)4-3-5-11(13)34-21-16(27)14(25)15(26)17(35-21)20(30)31/h3-5,8-9,14-17,21,25-27H,6-7H2,1-2H3,(H,30,31)/t8-,9-,14+,15+,16-,17+,21-,22-,23+/m0/s1
InChIKeyMXKQICKYJJNJEK-NNZXWATKSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31310115)
ChEBI Ontology
Outgoing Relation(s)
Naquihexcin K (CHEBI:224368) is a benzochromenone (CHEBI:64986)
Naquihexcin K (CHEBI:224368) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(1R,10S,11S,13R)-13-(2-methoxy-2-oxoethyl)-11-methyl-2,9-dioxo-12,15-dioxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-trien-7-yl]oxy]oxane-2-carboxylic acid