(Q105188644)

English

(1R,3R,4R,5R)-3,4,5-tris({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1-hydroxycyclohexane-1-carboxylic acid

chemical compound

In more languages

Statements

type of chemical entity

0 references

3,4,5-Tris[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1-hydroxycyclohexane-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

678.15847026 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,3R,4S,5R)-3,4,5-tris({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1-hydroxycyclohexane-1-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3R,5R)-3,4,5-tris{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1-hydroxycyclohexane-1-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

3,4,5-Tricaffeoylquinic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₄H₃₀O₁₅

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canonical SMILES

O=C(OC1CC(O)(C(=O)O)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1OC(=O)C=CC3=CC=C(O)C(O)=C3)C=CC4=CC=C(O)C(O)=C4

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isomeric SMILES

O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1OC(=O)/C=C/c1ccc(O)c(O)c1

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Xanthium strumarium

1 reference

Thiazinedione from xanthium strumarium

Identifiers

InChI=1S/C34H30O15/c35-21-7-1-18(13-24(21)38)4-10-29(41)47-27-16-34(46,33(44)45)17-28(48-30(42)11-5-19-2-8-22(36)25(39)14-19)32(27)49-31(43)12-6-20-3-9-23(37)26(40)15-20/h1-15,27-28,32,35-40,46H,16-17H2,(H,44,45)/b10-4+,11-5+,12-6+/t27-,28-,32-,34-/m1/s1

0 references

OAFXTKGAKYAFSI-KIILRUHSSA-N

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