| 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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zoom in
| Organism | Geranium pratense |
|---|
| Reference | Fogliani, et al., Phytochemistry, 66, (2005), 241.
Zhang, et al., Journal of Natural Products, 64, (2001), 1527.
Sun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).
Edited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979). |
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