(Q105346691)

inferred from SMILES

mass

516.126776208 dalton

1 reference

1,3-Dicaffeoylquinic acid

inferred from SMILES

stereoisomer of

2 references

2 references

(1S,3S,4R,5S)-3-[(Z)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy-1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxycyclohexane-1-carboxylic acid

1 reference

1 reference

inferred from InChI

chemical formula

C₂₅H₂₄O₁₂

0 references

canonical SMILES

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

0 references

isomeric SMILES

O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](OC(=O)/C=C/c2ccc(O)c(O)c2)(C(=O)O)C[C@@H](O)[C@H]1O

0 references

found in taxon

Acmella ciliata

1 reference

New phenolic compounds of Acmella ciliata

Arctium lappa

1 reference

Antioxidative caffeoylquinic acid derivatives in the roots of burdock (Arctium lappa L.).

Arnica chamissonis

1 reference

Caffeoylquinic acids from flowers of Arnica montana and Arnica chamissonis

Arnica montana

1 reference

Caffeoylquinic acids from flowers of Arnica montana and Arnica chamissonis

Aster indicus

1 reference

Phenolic derivatives from Aster indicus

Isertia pittieri

1 reference

A new dicaffeoylquinic acid butyl ester from Isertia pittieri

Mikania hirsutissima

1 reference

ent-Kaurenoic acids from Mikania hirsutissima (Compositae).

Xanthium strumarium

1 reference

Thiazinedione from xanthium strumarium

Pulicaria wightiana

1 reference

Phenolic derivatives from Aster indicus

Inula multicaulis

1 reference

New Quinic Acid Derivatives from Hepatoprotective Inula crithmoides Root Extract

Spuriopimpinella calycina

1 reference

Quinic acid derivatives from Pimpinella brachycarpa exert anti-neuroinflammatory activity in lipopolysaccharide-induced microglia

Mikania banisteriae

1 reference

ent-Kaurenoic acids from Mikania hirsutissima (Compositae).

Spuriopimpinella brachycarpa

1 reference

Quinic acid derivatives from Pimpinella brachycarpa exert anti-neuroinflammatory activity in lipopolysaccharide-induced microglia

Cynara scolymus

2 references

HPLC Evaluation of the Active Constituents in the Newly Introduced Romanian Strain of Cynara scolymus Cultivated in Egypt

Developmental changes in leaf phenolics composition from three artichoke cvs. (Cynara scolymus) as determined via UHPLC-MS and chemometrics

Cynara cardunculus

3 references

Developmental changes in leaf phenolics composition from three artichoke cvs. (Cynara scolymus) as determined via UHPLC-MS and chemometrics

HPLC Evaluation of the Active Constituents in the Newly Introduced Romanian Strain of Cynara scolymus Cultivated in Egypt

Metabolomics driven analysis of artichoke leaf and its commercial products via UHPLC-q-TOF-MS and chemometrics.

Identifiers

InChI

InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1

0 references

InChIKey

YDDUMTOHNYZQPO-PSEXTPKNSA-N

0 references

1 reference

17 September 2022

SureChEMBL ID

SCHEMBL20886514

1 reference

Human Metabolome Database ID

1 reference

HMDB0029279

1 reference