(Q105146321)

English

(2E)-2-[(2R,3S,4R,6S)-2-hydroxy-3,4-dimethoxy-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexylidene]acetonitrile

chemical compound

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instance of

type of chemical entity

0 references

subclass of

2-[(1Z)-2-hydroxy-3,4-dimethoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexylidene]acetonitrile

1 reference

based on heuristic

inferred from SMILES

2-[2-Hydroxy-3,4-dimethoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexylidene]acetonitrile

1 reference

based on heuristic

inferred from SMILES

mass

375.15293138 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2Z)-2-[(2S,3R,4S,6R)-2-hydroxy-3,4-dimethoxy-6-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexylidene]acetonitrile

1 reference

1 reference

C₁₆H₂₅NO₉

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canonical SMILES

N#CC=C1C(O)C(OC)C(OC)CC1OC2OC(CO)C(O)C(O)C2O

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isomeric SMILES

CO[C@@H]1[C@H](OC)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)/C(=C/C#N)[C@H]1O

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found in taxon

Simmondsia chinensis

1 reference

stated in

Simmondsin, an unusual 2-cyanomethylenecyclohexyl glucoside from Simmondsia californica

Identifiers

InChI

InChI=1S/C16H25NO9/c1-23-9-5-8(7(3-4-17)11(19)15(9)24-2)25-16-14(22)13(21)12(20)10(6-18)26-16/h3,8-16,18-22H,5-6H2,1-2H3/b7-3-/t8-,9+,10+,11+,12+,13+,14+,15+,16+/m0/s1

0 references

InChIKey

KURSRHBVYUACKS-IQUVRYBYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KURSRHBVYUACKS-IQUVRYBYSA-N

(Q105146321)

(2E)-2-[(2R,3S,4R,6S)-2-hydroxy-3,4-dimethoxy-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexylidene]acetonitrile

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