| Name |
Chebulagic acid |
| Formula |
C41H30O27 |
| Mw |
954.09744576 |
| CAS RN |
23094-71-5 |
| C_ID |
C00002911
, 
|
| InChIKey |
HGJXAVROWQLCTP-VAUJNJDDNA-N |
| InChICode |
InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48)/t12-,18-,22-,30-,31+,33-,34+,41-/m0/s1 |
| SMILES |
O=C(O)C[C@@H]1C(=O)O[C@@H]2C3COC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)O[C@@H]2C(OC(=O)c2cc(O)c(O)c4c2[C@H]1[C@H](O)C(=O)O4)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O3 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Combretaceae | Terminalia chebula  | Ref. |
| Plantae | Cunoniaceae | Cunonia macrophylla | Ref. |
| Plantae | Fabaceae | Caesalpinia coriana | Ref. |
| Plantae | Fagaceae | Castanea sativa | Ref. |
| Plantae | Geraniaceae | Geranium pratense | Ref. |
| Plantae | Nymphaeaceae | Nymphaea alba | Ref. |
| Plantae | Phyllanthaceae | Phyllanthus emblica | Ref. |
|
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