Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H18O8 |
| Molecular Weight | 338.3093 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C/C2=CC=C(O)C=C2)[C@@H]1O)C(O)=O
InChI
InChIKey=BMRSEYFENKXDIS-JMYXGHFSSA-N
InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3-/t11-,12-,14-,16+/m1/s1
| Molecular Formula | C16H18O8 |
| Molecular Weight | 338.3093 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
5-P-Coumaroylquinic acid is a cinnamate ester formed by condensation of the carboxyl group of 4-coumaric acid with the 5-hydroxy group of (-)-quinic acid. It is a naturally occuring compound in coffee, Ixeris sonchifolia and Aloe barbadensis. 5-P Coumaroylquinic acid and related compounds are reported to have antioxidant properties.
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 11:00:49 GMT 2023
by
admin
on
Sat Dec 16 11:00:49 GMT 2023
|
| Record UNII |
6G05HSG92R
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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185502-68-5
Created by
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6G05HSG92R
Created by
admin on Sat Dec 16 11:00:49 GMT 2023 , Edited by admin on Sat Dec 16 11:00:49 GMT 2023
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90478782
Created by
admin on Sat Dec 16 11:00:49 GMT 2023 , Edited by admin on Sat Dec 16 11:00:49 GMT 2023
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PRIMARY |