| 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(=O)[C@@H]1[C@H]([C@@H]([C@H]1c1ccc(cc1)O)c1ccc(cc1)O)C(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](Oc2cc3c(c(c2)O)c(=O)cc(o3)c2ccc(cc2)O)O1)O)O)O)C[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc1cc(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Stachys aegyptiaca | Ref. |
| Plantae | Labiatae | Stachys lanata | Ref. |
|
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