| 2D Structure | |
| CID | 5280633 |
| Target | / |
| IUPAC Name | (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1 |
| InChI Key | CWVRJTMFETXNAD-NXLLHMKUSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C16H18O9 |
| Molecular Weight | 354.31 |
| synonyms | ['Neochlorogenic acid', '906-33-2', '(E)-Neochlorogenic Acid', '5-Caffeylquinic acid', 'UNII-O4601UER1Z', 'O4601UER1Z', 'EINECS 212-997-1', '3-CQA', '3-O-(E)-CAFFEOYLQUINIC ACID', 'Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1R-(1alpha,3alpha,4alpha,5beta))-', 'CYCLOHEXANECARBOXYLIC ACID, 3-(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-1,4,5-TRIHYDROXY-, (1R,3R,4S,5R)-', "NEOCHLOROGENIC ACID (CONSTITUENT OF ST. JOHN'S WORT)", '212-997-1', 'CYCLOHEXANECARBOXYLIC ACID, 3-((3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-1,4,5-TRIHYDROXY-, (1R-(1alpha,3alpha(E),4alpha,5beta))-', 'Neochlorogenate', '5-O-(trans-3,4-Dihydroxycinnamoyl)-D-quinic acid', '5-O-Caffeoylquinic acid', '(1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid', 'MFCD10566639', '5-Caffeoylquinic acid', 'CHEBI:16384', 'trans-Neochlorogenic acid', 'CHEMBL249450', 'trans-5-O-caffeoyl-D-quinic acid', 'Cyclohexanecarboxylic acid,3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-,(1R,3R,4S,5R)-', 'C16H18O9', '(1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid', 'trans-5-O-caffeoyl-D-quinate', '(1R,3R,4S,5R)-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid', '1D-[1(OH),3,4/5]-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid', '342811-68-1', '5-O-caffeoyl quinic acid', 'Nochlorogenic acid', 'neochlorogenic_acid', 'Neochlorogenic-acid', 'Neochlorogenic acid (Standard)', 'orb1300207', 'Quinic acid, 5-caffeoyl-, E-', 'SCHEMBL13567302', 'SCHEMBL29549239', 'ACon1_000392', 'HY-N0722R', 'CWVRJTMFETXNAD-NXLLHMKUSA-N', 'DTXSID301347903', 'HMS3886H18', '202650-88-2', 'HY-N0722', 'BDBM50163308', 's9136', 'AKOS015901853', 'AC-6061', 'CCG-268077', 'CS-3770', 'FN41805', 'Neochlorogenic acid, analytical standard', 'NCGC00169121-01', 'NCGC00169121-02', 'AS-75008', 'DA-66022', 'N1155', 'NS00097276', 'C17147', 'Q6992128', '656B3E48-4F1F-4FC8-A3B2-B0FADAB84AF5', 'Neochlorogenic acid, from Lonicera japonica, >=98.0% (HPLC)', "NEOCHLOROGENIC ACID (CONSTITUENT OF ST. JOHN'S WORT) [DSC]", '(1R,3R,4S,5R)-3-((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylic acid', '(1R,3R,4S,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid', '(1R-(1.ALPHA.,3.ALPHA.,4.ALPHA.,5.BETA.))-3-((3-(3,4-DIHYDROXYPHENYL)-1-OXOALLYL)OXY)-1,4,5-TRIHYDROXYCYCLOHEXANECARBOXYLIC ACID', '(1R-(1alpha,3alpha,4alpha,5beta))-3-((3-(3,4-Dihydroxyphenyl)-1-oxoallyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid', '[1R - (1alpha,3alpha,4alpha,5beta )] - 3 - [[3 - (3,4 - dihydroxyphenyl) - 1 - oxoallyl]oxy] - 1,4,5 - trihydroxycyclohexanecarboxylic acid', 'CYCLOHEXANECARBOXYLIC ACID, 3-((3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-1,4,5-TRIHYDROXY-, (1R-(1.ALPHA.,3.ALPHA.(E),4.ALPHA.,5.BETA.))-', 'CYCLOHEXANECARBOXYLIC ACID, 3-((3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-1,4,5-TRIHYDROXY-, (1R-(1.ALPHA.,3.ALPHA.,4.ALPHA.,5.BETA.))-'] |
From Pubchem