(Q105213911)

English

[(2R,3S,4R,5R,6R)-5-hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[5-Hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

592.215591212 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R,3R,4R,5R,6R)-5-hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₉H₃₆O₁₃

0 references

canonical SMILES

O=C(OC1C(OC(OCCC2=CC=C(O)C=C2)C(O)C1OC3OC(C)C(O)C(O)C3O)CO)C=CC4=CC=C(O)C=C4

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isomeric SMILES

C[C@@H]1O[C@@H](O[C@H]2[C@@H](OC(=O)/C=C/c3ccc(O)cc3)[C@@H](CO)O[C@@H](OCCc3ccc(O)cc3)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

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found in taxon

Ligustrum robustum

1 reference

stated in

Antioxidative glycosides from the leaves of Ligustrum robustum

Identifiers

InChI

InChI=1S/C29H36O13/c1-15-22(34)23(35)24(36)29(39-15)42-27-25(37)28(38-13-12-17-4-9-19(32)10-5-17)40-20(14-30)26(27)41-21(33)11-6-16-2-7-18(31)8-3-16/h2-11,15,20,22-32,34-37H,12-14H2,1H3/b11-6+/t15-,20+,22-,23+,24+,25+,26-,27+,28+,29-/m0/s1

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InChIKey

PRTREKIVGSNQRM-MQPXXTFTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PRTREKIVGSNQRM-MQPXXTFTSA-N

(Q105213911)

[(2R,3S,4R,5R,6R)-5-hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

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