| Name |
Cryptochlorogenic acid
4-Caffeoylquinic acid
4-O-Caffeoylquinic acid |
| Formula |
C16H18O9 |
| Mw |
354.09508217 |
| CAS RN |
905-99-7 |
| C_ID |
C00029540
, 
|
| InChIKey |
GYFFKZTYYAFCTR-PCEXOASVNA-N |
| InChICode |
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 |
| SMILES |
c1(cc(c(cc1)O)O)/C=C/C(=O)O[C@H]1[C@@H](C[C@](C[C@H]1O)(O)C(=O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
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| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Cynara scolymus  | Ref. |
| Plantae | Asteraceae | Helianthus sp. | Ref. |
| Plantae | Asteraceae | Solidago altissima L. | Ref. |
| Plantae | Convolvulaceae | Ipomoea batatas | Ref. |
| Plantae | Rosaceae | Cydonia oblonga | Ref. |
| Plantae | Rosaceae | Eriobotrya japonica | Ref. |
| Plantae | Rosaceae | Prunus domestica | Ref. |
| Plantae | Rubiaceae | Coffea sp. | Ref. |
| Plantae | Solanaceae | Solanum habrochaites | Ref. |
| Plantae | Solanaceae | Solanum lycopersicum | Ref. |
| Plantae | Solanaceae | Solanum neorickii | Ref. |
| Plantae | Solanaceae | Solanum parviflorum | Ref. |
| Plantae | Solanaceae | Solanum pennellii | Ref. |
| Plantae | Solanaceae | Solanum pimpinellifollium | Ref. |
| Plantae | Solanaceae | Solanum tuberosum | Ref. |
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