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CHEBI:224386 - Naquihexcin F

ChEBI IDCHEBI:224386
ChEBI NameNaquihexcin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H42O20S
Net Charge0
Average Mass874.823
Monoisotopic Mass874.19901
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)O)[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/C40H42O20S/c1-15-39(53)33(49)25-19(7-5-9-21(25)41)31(47)37(39,13-17(57-15)11-23(42)55-3)61-38-14-18(12-24(43)56-4)58-16(2)40(38,54)34(50)26-20(32(38)48)8-6-10-22(26)59-36-29(46)27(44)28(45)30(60-36)35(51)52/h5-10,15-18,27-30,36,41,44-46,53-54H,11-14H2,1-4H3,(H,51,52)/t15-,16-,17-,18-,27+,28+,29-,30+,36-,37+,38+,39+,40+/m0/s1
InChIKeyUVVCZZFCKJPLMU-SUWHOYOOSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31310115)
ChEBI Ontology
Outgoing Relation(s)
Naquihexcin F (CHEBI:224386) is a benzochromenone (CHEBI:64986)
Naquihexcin F (CHEBI:224386) is a glycoside (CHEBI:24400)
IUPAC Name 
(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-carboxylic acid
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