(Q105120910)

English

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

chemical compound

In more languages

Statements

type of chemical entity

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Methyl 3,4,5-tris[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1-hydroxycyclohexane-1-carboxylate

1 reference

based on heuristic

inferred from SMILES

692.174120324 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₃₂O₁₅

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canonical SMILES

O=C(OC1CC(O)(C(=O)OC)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

COC(=O)[C@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1

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Arnica chamissonis

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Caffeoylquinic acids from flowers of Arnica montana and Arnica chamissonis

1 reference

Phytochemical and Bioactivity Studies on Constituents of the Leaves of Vitex Quinata

Identifiers

InChI=1S/C35H32O15/c1-47-34(45)35(46)17-28(48-30(42)11-5-19-2-8-22(36)25(39)14-19)33(50-32(44)13-7-21-4-10-24(38)27(41)16-21)29(18-35)49-31(43)12-6-20-3-9-23(37)26(40)15-20/h2-16,28-29,33,36-41,46H,17-18H2,1H3/b11-5+,12-6+,13-7+/t28-,29-,33-,35+/m1/s1

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IUYABVGRAQOSDI-OCHWDWIDSA-N

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