| Name |
Stachysetin |
| Formula |
C60H52O24 |
| Mw |
1156.28485259 |
| CAS RN |
171674-78-5 |
| C_ID |
C00013730
, 
|
| InChIKey |
VLKZMOAGAREVTL-LMNJJEERNA-N |
| InChICode |
InChI=1S/C60H52O24/c61-29-9-1-25(2-10-29)39-21-37(67)47-35(65)17-33(19-41(47)81-39)79-59-55(73)53(71)51(69)43(83-59)23-77-57(75)49-45(27-5-13-31(63)14-6-27)46(28-7-15-32(64)16-8-28)50(49)58(76)78-24-44-52(70)54(72)56(74)60(84-44)80-34-18-36(66)48-38(68)22-40(82-42(48)20-34)26-3-11-30(62)12-4-26/h1-22,43-46,49-56,59-66,69-74H,23-24H2/t43-,44+,45-,46-,49+,50+,51-,52-,53+,54+,55+,56-,59-,60-/m1/s1 |
| SMILES |
O=C(OCC1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)C(O)[C@@H](O)[C@@H]1O)C1C(C(=O)OCC2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)C(O)[C@@H](O)[C@@H]2O)C(c2ccc(O)cc2)C1c1ccc(O)cc1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Stachys aegyptiaca | Ref. |
| Plantae | Labiatae | Stachys lanata | Ref. |
|
|
zoom in
| Organism | Stachys aegyptiaca |
|---|
| Reference | El-Ansari,Phytochem.,40,(1995),1543 |
|---|
|
