(Q104953323)

English

Caffeic acid 3,4-Dihydroxyphenethyl ester

chemical compound

In more languages

Statements

type of chemical entity

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alkyl caffeate ester

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316.094688232 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₁₆O₆

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canonical SMILES

O=C(OCCC1=CC=C(O)C(O)=C1)C=CC2=CC=C(O)C(O)=C2

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isomeric SMILES

O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccc(O)c(O)c1

1 reference

based on heuristic

inferred from InChI

Teucrium polium

1 reference

Teucrol, a decarboxyrosmarinic acid and its 4'-O-triglycoside, teucroside from Teucrium pilosum

Teucrium decaisnei

1 reference

Teucrol, a decarboxyrosmarinic acid and its 4'-O-triglycoside, teucroside from Teucrium pilosum

Identifiers

InChI=1S/C17H16O6/c18-13-4-1-11(9-15(13)20)3-6-17(22)23-8-7-12-2-5-14(19)16(21)10-12/h1-6,9-10,18-21H,7-8H2/b6-3+

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CCHKZGVRIOKSEE-ZZXKWVIFSA-N

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CAS Registry Number

1 reference

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

CCHKZGVRIOKSEE-ZZXKWVIFSA-N

UniChem compound ID

1 reference

NMRShiftDB structure ID

1 reference

matched by identifier from

CCHKZGVRIOKSEE-ZZXKWVIFSA-N

DSSTox substance ID

DTXSID801155400

1 reference

matched by identifier from

CCHKZGVRIOKSEE-ZZXKWVIFSA-N

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

CCHKZGVRIOKSEE-ZZXKWVIFSA-N

Sitelinks

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