CHEBI:224368 - Naquihexcin K

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Naquihexcin K
ChEBI ID CHEBI:224368
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H24O13
Net Charge 0
Average Mass 508.432
Monoisotopic Mass 508.12169
InChI InChI=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
InChIKey MXKQICKYJJNJEK-NNZXWATKSA-N
SMILES O=C1C2=C(O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@H]([C@@H]3O)O)C=CC=C2C(=O)[C@@]45[C@@]1(O4)[C@@H](O[C@H](C5)CC(=O)OC)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 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