(Q105137792)

English

[(1S,2R,3S,4Z,5R)-4-(cyanomethylidene)-2,3-dihydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl] 3-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[4-(Cyanomethylidene)-2,3-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl] 3-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

429.163496064 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₇NO₁₀

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canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Ehretia philippinensis

1 reference

stated in

Nitrile glucosides and rosmarinic acid, the histamine inhibitor from Ehretia philippinensis

Identifiers

InChI

InChI=1S/C19H27NO10/c1-8(2)5-13(22)28-11-6-10(9(3-4-20)14(23)15(11)24)29-19-18(27)17(26)16(25)12(7-21)30-19/h3,5,10-12,14-19,21,23-27H,6-7H2,1-2H3/b9-3+/t10-,11+,12-,14+,15+,16-,17+,18-,19-/m1/s1

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InChIKey

KACVHHBXBVTKMS-KCIKBKOHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KACVHHBXBVTKMS-KCIKBKOHSA-N

1 reference

(Q105137792)

[(1S,2R,3S,4Z,5R)-4-(cyanomethylidene)-2,3-dihydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl] 3-methylbut-2-enoate

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Identifiers

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