(Q105176007)

English

(2R)-2-[(E)-3-[4-[(Z)-1-carboxy-2-(3,4-dihydroxyphenyl)ethenoxy]-3-hydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-[3-[4-[1-Carboxy-2-(3,4-dihydroxyphenyl)ethenoxy]-3-hydroxyphenyl]prop-2-enoyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid

1 reference

1 reference

538.111126144 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-2-[(E)-3-[4-[(Z)-1-carboxy-2-(3,4-dihydroxyphenyl)ethenoxy]-3-hydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R)-2-[(E)-3-[4-[(E)-1-carboxy-2-(3,4-dihydroxyphenyl)ethenoxy]-3-hydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₂₂O₁₂

0 references

canonical SMILES

O=C(O)C(OC1=CC=C(C=CC(=O)OC(C(=O)O)CC2=CC=C(O)C(O)=C2)C=C1O)=CC3=CC=C(O)C(O)=C3

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isomeric SMILES

O=C(/C=C/c1ccc(O/C(=C\c2ccc(O)c(O)c2)C(=O)O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O

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found in taxon

Salvia officinalis

2 references

stated in

Sagecoumarin, a novel caffeic acid trimer from Salvia officinalis

stated in

Sagecoumarin, a novel caffeic acid trimer from Salvia officinalis

Melissa officinalis

1 reference

stated in

Melitric Acids A and B, New Trimeric Caffeic Acid Derivatives from Melissa officinalis.

Salvia cavaleriei

1 reference

stated in

Salvianolic Acid I: A New Depside from Salvia cavaleriei

Thymus vulgaris

1 reference

stated in

Isolation and structure elucidation of radical scavengers from Thymus vulgaris leaves.

Identifiers

InChI

InChI=1S/C27H22O12/c28-17-5-1-15(10-19(17)30)12-23(26(34)35)38-22-7-3-14(9-21(22)32)4-8-25(33)39-24(27(36)37)13-16-2-6-18(29)20(31)11-16/h1-12,24,28-32H,13H2,(H,34,35)(H,36,37)/b8-4+,23-12-/t24-/m1/s1

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InChIKey

MZSGWZGPESCJAN-RAXODLQLSA-N

0 references

CAS Registry Number

153765-45-8

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MZSGWZGPESCJAN-RAXODLQLSA-N

1 reference

1 reference

matched by identifier from

InChIKey

MZSGWZGPESCJAN-RAXODLQLSA-N

(Q105176007)

(2R)-2-[(E)-3-[4-[(Z)-1-carboxy-2-(3,4-dihydroxyphenyl)ethenoxy]-3-hydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid

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Identifiers

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