| 2D Structure | |
| CID | 9798666 |
| Target | / |
| IUPAC Name | (3R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1 |
| InChI Key | GYFFKZTYYAFCTR-AVXJPILUSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C16H18O9 |
| Molecular Weight | 354.31 |
| synonyms | ['Cryptochlorogenic acid', '4-Cqa', '4-o-Caffeoyl quinic acid', 'F23DJ84IZ9', 'UNII-F23DJ84IZ9', '(1alpha,3alpha,4alpha,5beta)-4-(3-(3,4-(Dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,3,5-trihydroxycyclohexanecarboxylic acid', '87099-73-8', 'Cinnamic acid, 3,4-dihydroxy-, 4-carboxy-2,4,6-trihydroxycyclohexyl ester', 'Cyclohexanecarboxylic acid, 4-(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1,3,5-trihydroxy-, (1alpha,3R,4alpha,5R)-', 'Cyclohexanecarboxylic acid, 4-((3-(3,4-dihydroxyphenyl)-1-oxo-2-1R-propenyl)oxy)-1,3,5-trihydroxy-, (1R-(1alpha,3alpha,4alpha,5beta))-', 'Cyclohexanecarboxylic acid, 4-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1,3,5-trihydroxy-, (1alpha,3R,4alpha,5R)-', 'Cyclohexanecarboxylic acid, 4-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,3,5-trihydroxy-, (1alpha,3R,4alpha,5R)-', '905-99-7', '4-O-Caffeoylquinic acid', '4-Caffeoylquinic acid', 'Quinic acid 4-O-caffeate', '4-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid', 'MFCD10566638', '(3R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid', 'CHEMBL4203706', '4-(3,4-Dihydroxycinnamoyl)quinic acid', '4-O-trans-caffeoylquinic acid', '(1alpha,3R,4alpha,5R)-4-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,3,5-trihydroxycyclohexanecarboxylic acid', '82638-23-1', 'rel-(1S,3R,4S,5R)-4-(((E)-3-(3,4-Dihydroxyphenyl)acryloyl)oxy)-1,3,5-trihydroxycyclohexanecarboxylic acid', 'Cryptochlorogenic-acid', '4-Caffeoylquinic acid;4-O-Caffeoylquinic acid', 'Quinic acid, 4-caffeoyl-', '4-O-(E)-caffeoylquinic acid', 'orb1300208', 'CHEMBL3092676', 'Quinic acid, 4-caffeoyl-, E-', 'SCHEMBL18180782', 'SCHEMBL20883249', 'ACon1_000120', 'CHEBI:75491', 'HY-N0787R', 'Cryptochlorogenic acid (Standard)', 'HY-N0787', 'MSK40095', 'BDBM50455380', 's9319', '4-O-Caffeoylquinic acid, >=98.0%', 'AKOS026674252', 'AKOS037514601', 'CCG-268076', 'CS-3767', 'FC40707', 'NCGC00180861-01', '(3R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxy-cyclohexanecarboxylic acid', '1ST40095', 'BS-17821', 'DA-72410', 'PD118874', 'Cryptochlorogenic acid, analytical standard', '4-Caffeoylquinic acid/ Cryptochlorogenic acid', 'B0B55D52-5101-4E6D-AA67-72D1CECBAA5A', 'Q27145347', '49B68A4C-6EC9-4441-B7D7-E3B740A8CDEC', '(1S,3R,4S,5R)-4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3,5-trihydroxycyclohexanecarboxylic acid', 'CYCLOHEXANECARBOXYLIC ACID, 4-(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-1,3,5-TRIHYDROXY-, (1.ALPHA.,3R,4.ALPHA.,5R)-', 'CYCLOHEXANECARBOXYLIC ACID, 4-((3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-1,3,5-TRIHYDROXY-, (1.ALPHA.,3R,4.ALPHA.,5R)-'] |
From Pubchem