| Name |
3-Caffeoylquinic acid methyl ester
3-O-Caffeoylquinic acid methyl ester |
| Formula |
C17H20O9 |
| Mw |
368.11073224 |
| CAS RN |
123483-19-2 |
| C_ID |
C00035932
, 
|
| InChIKey |
MZNIJRAPCCELQX-BADWVSBWNA-N |
| InChICode |
InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1 |
| SMILES |
c1(cc(c(cc1)O)O)/C=C/C(=O)O[C@@H]1C[C@@](C[C@H]([C@H]1O)O)(C(=O)OC)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Centaurea bracteata Scop. | Ref. |
| Plantae | Asteraceae | Saussurea medusa | Ref. |
| Plantae | Labiatae | Phlomis brunneogaleata | Ref. |
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