(Q105173836)

English

methyl (2S,3R,4R)-3-ethenyl-4-hydroxy-4-(2-hydroxyethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydropyran-5-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 3-ethenyl-4-hydroxy-4-(2-hydroxyethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydropyran-5-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

406.147511652 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₆O₁₁

0 references

canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1(O)CCO

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isomeric SMILES

C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@]1(O)CCO

0 references

found in taxon

Fontanesia philliraeoides

1 reference

stated in

Fontanesioside and 5-hydroxysecologanol from Fontanesia phillyreoides

Identifiers

InChI

InChI=1S/C17H26O11/c1-3-8-15(26-7-9(14(23)25-2)17(8,24)4-5-18)28-16-13(22)12(21)11(20)10(6-19)27-16/h3,7-8,10-13,15-16,18-22,24H,1,4-6H2,2H3/t8-,10+,11+,12-,13+,15-,16-,17+/m0/s1

0 references

InChIKey

MWWTXDLYULYWJD-YDZWSPJDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MWWTXDLYULYWJD-YDZWSPJDSA-N

(Q105173836)

methyl (2S,3R,4R)-3-ethenyl-4-hydroxy-4-(2-hydroxyethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydropyran-5-carboxylate

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