(Q105171238)

English

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

chemical compound

In more languages

Statements

type of chemical entity

0 references

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

1 reference

based on heuristic

inferred from SMILES

678.15847026 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₃₀O₁₅

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canonical SMILES

O=C(OC1CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)(C(=O)O)CC(OC(=O)C=CC3=CC=C(O)C(O)=C3)C1O)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@](OC(=O)/C=C/c2ccc(O)c(O)c2)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O

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Xanthium strumarium

2 references

1,3,5-Tri-O-caffeoylquinic acid from Xanthium strumarium

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(33(45)46,49-31(43)12-6-20-3-9-23(37)26(40)15-20)17-28(32(27)44)48-30(42)11-5-19-2-8-22(36)25(39)14-19/h1-15,27-28,32,35-40,44H,16-17H2,(H,45,46)/b10-4+,11-5+,12-6+/t27-,28-,32-,34+/m1/s1

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MSKVJEAKVWAQTA-YOWOTECTSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

MSKVJEAKVWAQTA-YOWOTECTSA-N

Probes And Drugs ID

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Sitelinks

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