(Q103813556)

English

methyl (3R,5R)-3,5-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

530.142426272 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl 3,5-di-O-caffeoyl quinate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1R,3R,4R,5R)-3,5-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₂₆O₁₂

0 references

canonical SMILES

O=C(OC1CC(O)(C(=O)OC)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1O)C=CC3=CC=C(O)C(O)=C3

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isomeric SMILES

COC(=O)C1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C(O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1

0 references

found in taxon

Artemisia ludoviciana

1 reference

stated in

Hypoglycemic properties of some preparations and compounds from Artemisia ludoviciana Nutt.

Ageratina adenophora

1 reference

stated in

Bioactive quinic acid derivatives from Ageratina adenophora.

Identifiers

InChI

InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24?,26?/m1/s1

0 references

InChIKey

VEBNYMXKXIIGFX-IYVYCCGLSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

VEBNYMXKXIIGFX-IYVYCCGLSA-N

1 reference

(Q103813556)

methyl (3R,5R)-3,5-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylate

Statements

Identifiers

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