| Name |
3,4-Dicaffeoylquinic acid
Isochlorogenic acid b |
| Formula |
C25H24O12 |
| Mw |
516.12677623 |
| CAS RN |
14534-61-3 |
| C_ID |
C00002751
, 
|
| InChIKey |
UFCLZKMFXSILNL-RYUYRGTRNA-N |
| InChICode |
InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1 |
| SMILES |
O[C@]1(C[C@H]([C@H]([C@@H](C1)OC(=O)/C=C/c1ccc(c(c1)O)O)OC(=O)/C=C/c1cc(c(cc1)O)O)O)C(=O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Artemisia spp.  | Ref. |
| Plantae | Asteraceae | Centaurea bracteata Scop. | Ref. |
| Plantae | Asteraceae | Chrysothamnus paniculatus | Ref. |
| Plantae | Asteraceae | Pluchea sagittalis | Ref. |
| Plantae | Asteraceae | Pterocaulon virgatum | Ref. |
| Plantae | Rubiaceae | Coffea arabica | Ref. |
| Plantae | Rubiaceae | Coffea robusta | Ref. |
| Plantae | Solanaceae | Nicotiana tabacum | Ref. |
|
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