| Name |
Theacitrin A |
| Formula |
C37H28O18 |
| Mw |
760.12756409 |
| CAS RN |
201998-49-4 |
| C_ID |
C00058003
|
| InChIKey |
WCQMIZTZMRUYPY-ZDJLAWDKSA-N |
| InChICode |
InChI=1S/C37H28O18/c38-12-3-17(40)14-7-21(44)31(53-23(14)5-12)16-9-26(46)37(52)32(16)36(10-22(45)29(48)30(49)27(36)33(37)50)34-25(8-15-18(41)4-13(39)6-24(15)54-34)55-35(51)11-1-19(42)28(47)20(43)2-11/h1-6,9-10,21,25,31-32,34,38-45,47,49,52H,7-8H2/t21-,25-,31-,32+,34+,36-,37-/m1/s1 |
| SMILES |
O=C1C(O)=C[C@@]2([C@H]3Oc4cc(O)cc(O)c4C[C@H]3OC(=O)c3cc(O)c(O)c(O)c3)C(=C1O)C(=O)[C@@]1(O)C(=O)C=C([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)[C@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Theaceae | Camellia sinensis  | Ref. |
|
|
zoom in
| Organism | Camellia sinensis |
|---|
| Reference | Davis, A.L. et al., Phytochemistry, 1997, 46, 1397-1402 (isol, uv, ir, pmr, cmr) |
|---|
|
