(Q105246009)

English

(2S,3R,4S,5S,6R)-2-{[(2R,3R,6Z)-3-hydroxy-6-(methoxyimino)-2,3-dihydrothiopyran-2-yl]oxy}-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

chemical compound

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type of chemical entity

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chemical compound

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mass

499.135960988 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₉NO₁₃S

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canonical SMILES

OCC1OC(OCC2OC(OC3SC(=NOC)C=CC3O)C(O)C(O)C2O)C(O)C(O)C1O

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isomeric SMILES

CO/N=C1/C=C[C@@H](O)[C@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)S1

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found in taxon

Ixora undulata

1 reference

stated in

Structure elucidation of secondary metabolites isolated from the leaves of Ixora undulate and their inhibitory activity toward advanced glycation end-products formation

Identifiers

InChI

InChI=1S/C18H29NO13S/c1-28-19-9-3-2-6(21)18(33-9)32-17-15(27)13(25)11(23)8(31-17)5-29-16-14(26)12(24)10(22)7(4-20)30-16/h2-3,6-8,10-18,20-27H,4-5H2,1H3/b19-9-/t6-,7-,8-,10-,11-,12+,13+,14-,15-,16-,17+,18-/m1/s1

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InChIKey

RVFZVZXNAVTPPL-HAAUKZJOSA-N

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(Q105246009)

(2S,3R,4S,5S,6R)-2-{[(2R,3R,6Z)-3-hydroxy-6-(methoxyimino)-2,3-dihydrothiopyran-2-yl]oxy}-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

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