| Name |
3,5-Dicaffeoylquinic acid
3,5-di-O-caffeate
sochlorogenic acid a
Isochlorogenic acid A |
| Formula |
C25H24O12 |
| Mw |
516.12677623 |
| CAS RN |
2450-53-5 |
| C_ID |
C00029481
, 
|
| InChIKey |
KRZBCHWVBQOTNZ-RYUYRGTRNA-N |
| InChICode |
InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1 |
| SMILES |
C1[C@](C[C@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)O)OC(=O)/C=C/c1ccc(c(c1)O)O)(O)C(=O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Chaerophyllum hirsutum | Ref. |
| Plantae | Apiaceae | Daucus carota  | Ref. |
| Plantae | Apiaceae | Ostericum koreanum | Ref. |
| Plantae | Asteraceae | Arnica montana cv.ARBO | Ref. |
| Plantae | Asteraceae | Baccharis gaudichaudiana DC | Ref. |
| Plantae | Asteraceae | Cynara scolymus | Ref. |
| Plantae | Asteraceae | Leontodon autumnalis | Ref. |
| Plantae | Caprifoliaceae/Diervillaceae/Dipsacaceae/Linnaeaceae/Valerianaceae | Lonicera japonica | Ref. |
| Plantae | Caprifoliaceae/Diervillaceae/Dipsacaceae/Linnaeaceae/Valerianaceae | Lonicera somolis | Ref. |
| Plantae | Convolvulaceae | Ipomoea batatas | Ref. |
| Plantae | Ericaceae | Vaccinium arctostaphylos | Ref. |
| Plantae | Rosaceae | Cydonia oblonga | Ref. |
|
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