| Name |
Neochlorogenic acid
5-O-Caffeoylquinic acid
Caffeoylquinic acid
5-Caffeoylquinic acid |
| Formula |
C16H18O9 |
| Mw |
354.09508217 |
| CAS RN |
906-33-2 |
| C_ID |
C00030807
, 
|
| InChIKey |
CWVRJTMFETXNAD-IJRKUMAHNA-N |
| InChICode |
InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1 |
| SMILES |
C1[C@H]([C@@H]([C@@H](C[C@@]1(O)C(=O)O)OC(=O)/C=C/c1cc(c(cc1)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
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| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Annonaceae | Annona muricata  | Ref. |
| Plantae | Apiaceae | Ferula elaeochytris | Ref. |
| Plantae | Aquifoliaceae | Ilex paraguariensis | Ref. |
| Plantae | Asteraceae | Aster salignus | Ref. |
| Plantae | Asteraceae | Centaurea bracteata Scop. | Ref. |
| Plantae | Asteraceae | Centaurea pseudoscabiosa subsp.pseudoscabiosa Boiss.et aBuhse | Ref. |
| Plantae | Asteraceae | Helianthus annuus | Ref. |
| Plantae | Asteraceae | Rhaponticum carthamoides | Ref. |
| Plantae | Asteraceae | Solidago canadensis | Ref. |
| Plantae | Caricaceae | Carica papaya | Ref. |
| Plantae | Chloranthaceae | Sarcandra glabra | Ref. |
| Plantae | Dipsacaceae/Diervillaceae/Linnaeaceae/Valerianaceae | Scabiosa comosa | Ref. |
| Plantae | Elaeagnaceae | Elaeagnus angustifolia | Ref. |
| Plantae | Ericaceae | Rhododendron calophytum | Ref. |
| Plantae | Ericaceae | Rhododendron catawbiense | Ref. |
| Plantae | Ericaceae | Rhododendron insigne | Ref. |
| Plantae | Ericaceae | Rhododendron kaempferi | Ref. |
| Plantae | Ericaceae | Rhododendron micranthum | Ref. |
| Plantae | Ericaceae | Rhododendron oreotrephes | Ref. |
| Plantae | Ericaceae | Rhododendron ponticum | Ref. |
| Plantae | Ericaceae | Rhododendron praevernum | Ref. |
| Plantae | Ericaceae | Rhododendron ungernii | Ref. |
| Plantae | Hydrangeaceae | Hydrangea macrophylla cv.Hovaria | Ref. |
| Plantae | Labiatae | Sideritis catillaris | Ref. |
| Plantae | Lythraceae | Punica granatum | Ref. |
| Plantae | Plantaginaceae | Plantago major | Ref. |
| Plantae | Polygonaceae | Calligonum leucocladum | Ref. |
| Plantae | Pteridaceae | Adiantum caudatum | Ref. |
| Plantae | Ranunculaceae/Hydrastidaceae | Hydrastis canadensis | Ref. |
| Plantae | Rosaceae | Prunus avium | Ref. |
| Plantae | Rosaceae | Pyrus betulaefolia | Ref. |
| Plantae | Rubiaceae | Coffea arabica | Ref. |
| Plantae | Rubiaceae | Coffea canephora | Ref. |
| Plantae | Solanaceae | Nicotiana tabacum | Ref. |
| Plantae | Solanaceae | Solanum acaule | Ref. |
| Plantae | Solanaceae | Solanum bulbocastanum | Ref. |
| Plantae | Solanaceae | Solanum canasense | Ref. |
| Plantae | Solanaceae | Solanum cardiophyllum | Ref. |
| Plantae | Solanaceae | Solanum chacoense | Ref. |
| Plantae | Solanaceae | Solanum commersonii | Ref. |
| Plantae | Solanaceae | Solanum fendleri | Ref. |
| Plantae | Solanaceae | Solanum habrochaites | Ref. |
| Plantae | Solanaceae | Solanum hougasii | Ref. |
| Plantae | Solanaceae | Solanum lycopersicum | Ref. |
| Plantae | Solanaceae | Solanum multidissectum | Ref. |
| Plantae | Solanaceae | Solanum neorickii | Ref. |
| Plantae | Solanaceae | Solanum paniculatum | Ref. |
| Plantae | Solanaceae | Solanum parviflorum | Ref. |
| Plantae | Solanaceae | Solanum phureja | Ref. |
| Plantae | Solanaceae | Solanum pimpinellifollium | Ref. |
| Plantae | Solanaceae | Solanum pinnacritisectum | Ref. |
| Plantae | Solanaceae | Solanum stoloniferum | Ref. |
| Plantae | Solanaceae | Solanum tarijense | Ref. |
| Plantae | Solanaceae | Solanum tuberosum | Ref. |
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