(Q105350162)

English

(1R,3R,4S,5S)-3,4-dihydroxy-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3,4-Dihydroxy-1-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

514.147511652 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₂₆O₁₁

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canonical SMILES

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

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isomeric SMILES

COc1cc(/C=C/C(=O)O[C@@]2(C(=O)O)C[C@H](OC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@H](O)C2)ccc1O

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found in taxon

Urochloa decumbens

1 reference

stated in

Roots of nutrient-deprived Brachiaria species accumulate 1,3-di-O-trans-feruloylquinic acid

Urochloa eminii

1 reference

stated in

Roots of nutrient-deprived Brachiaria species accumulate 1,3-di-O-trans-feruloylquinic acid

Urochloa ruziziensis

1 reference

stated in

Roots of nutrient-deprived Brachiaria species accumulate 1,3-di-O-trans-feruloylquinic acid

Identifiers

InChI

InChI=1S/C26H26O11/c1-35-20-12-16(4-9-18(20)28)6-11-23(31)37-26(25(33)34)13-19(29)24(32)21(14-26)36-22(30)10-5-15-2-7-17(27)8-3-15/h2-12,19,21,24,27-29,32H,13-14H2,1H3,(H,33,34)/b10-5+,11-6+/t19-,21+,24+,26-/m1/s1

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InChIKey

YLKBTONOZYPFLU-WOCNSCFESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YLKBTONOZYPFLU-WOCNSCFESA-N

(Q105350162)

(1R,3R,4S,5S)-3,4-dihydroxy-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

Statements

Identifiers

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