(Q104921824)

English

(2R,3S)-2-[4-[(E)-3-[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-hydroxyphenoxy]-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

2-[4-[3-[1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-hydroxyphenoxy]-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

556.121690828 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3R)-2-[4-[(E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-hydroxyphenoxy]-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₂₄O₁₃

0 references

canonical SMILES

O=C(O)C(OC(=O)C=CC1=CC=C(OC(C(=O)O)C(O)C2=CC=C(O)C(O)=C2)C(O)=C1)CC3=CC=C(O)C(O)=C3

0 references

isomeric SMILES

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

0 references

found in taxon

Salvia officinalis

1 reference

stated in

Rosmarinic acid derivatives from Salvia officinalis

Identifiers

InChI

InChI=1S/C27H24O13/c28-16-5-1-14(10-18(16)30)11-22(26(35)36)39-23(33)8-3-13-2-7-21(20(32)9-13)40-25(27(37)38)24(34)15-4-6-17(29)19(31)12-15/h1-10,12,22,24-25,28-32,34H,11H2,(H,35,36)(H,37,38)/b8-3+/t22-,24-,25+/m0/s1

0 references

InChIKey

AZOCLKLJIKZOLF-SYSOHKAWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AZOCLKLJIKZOLF-SYSOHKAWSA-N

(Q104921824)

(2R,3S)-2-[4-[(E)-3-[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-hydroxyphenoxy]-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid

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