(Q105134490)

English

6-[3-[1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-3-(3,4-dihydroxyphenyl)cyclohex-5-ene-1,2,4-tricarboxylic acid

group of stereoisomers with the chemical formula C₂₇H₂₄O₁₄

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

572.116605448 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₂₄O₁₄

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canonical SMILES

O=C(OC(C(=O)O)CC1=CC=C(O)C(O)=C1)C=CC2=CC(C(=O)O)C(C3=CC=C(O)C(O)=C3)C(C(=O)O)C2C(=O)O

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found in taxon

Salvia miltiorrhiza

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stated in

Polyphenolics of Salvia--a review

Identifiers

InChI

InChI=1S/C27H24O14/c28-15-4-1-11(7-17(15)30)8-19(25(35)36)41-20(32)6-3-12-9-14(24(33)34)21(13-2-5-16(29)18(31)10-13)23(27(39)40)22(12)26(37)38/h1-7,9-10,14,19,21-23,28-31H,8H2,(H,33,34)(H,35,36)(H,37,38)(H,39,40)

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InChIKey

JSOPGXFFNOKRAX-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JSOPGXFFNOKRAX-UHFFFAOYSA-N

(Q105134490)

6-[3-[1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-3-(3,4-dihydroxyphenyl)cyclohex-5-ene-1,2,4-tricarboxylic acid

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Identifiers

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