(Q105330631)

English

[(2R,3S,4S,5R,6R)-6-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[6-[3,4-Dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

alpha-D-Glucopyranoside, beta-D-fructofuranosyl, 6-[3-(4-hydroxy-3-methoxyphenyl)-2-propenoate], (E)-; 6'-O-Feruloylsucrose

1 reference

based on heuristic

inferred from SMILES

mass

518.16355564 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R,3S,4S,5R,6R)-6-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

coumaroyl(3-OMe)(-6)Glc(a1-2b)L-Fruf

1 reference

1 reference

C₂₂H₃₀O₁₄

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canonical SMILES

O=C(OCC1OC(OC2(OC(CO)C(O)C2O)CO)C(O)C(O)C1O)C=CC3=CC=C(O)C(OC)=C3

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isomeric SMILES

COc1cc(/C=C/C(=O)OC[C@H]2O[C@H](O[C@@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O

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found in taxon

Lilium speciosum

1 reference

stated in

Steroidal and phenolic constituents of Lilium speciosum

Identifiers

InChI

InChI=1S/C22H30O14/c1-32-12-6-10(2-4-11(12)25)3-5-15(26)33-8-14-16(27)18(29)19(30)21(34-14)36-22(9-24)20(31)17(28)13(7-23)35-22/h2-6,13-14,16-21,23-25,27-31H,7-9H2,1H3/b5-3+/t13-,14-,16-,17-,18+,19-,20+,21-,22-/m1/s1

0 references

InChIKey

XMBZZLUIFFOAHR-HNDQWBAUSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

XMBZZLUIFFOAHR-HNDQWBAUSA-N

1 reference

(Q105330631)

[(2R,3S,4S,5R,6R)-6-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

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Identifiers

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