| Name |
Di-6''-(acacetin-7-glucosyl)malonate |
| Formula |
C47H44O22 |
| Mw |
960.23242309 |
| CAS RN |
78897-46-8 |
| C_ID |
C00004214
, 
|
| InChIKey |
IEINZRDJQQHBJL-JIPHYCRONA-N |
| InChICode |
InChI=1S/C47H44O22/c1-60-22-7-3-20(4-8-22)30-15-28(50)38-26(48)11-24(13-32(38)66-30)64-46-44(58)42(56)40(54)34(68-46)18-62-36(52)17-37(53)63-19-35-41(55)43(57)45(59)47(69-35)65-25-12-27(49)39-29(51)16-31(67-33(39)14-25)21-5-9-23(61-2)10-6-21/h3-16,34-35,40-49,54-59H,17-19H2,1-2H3/t34-,35+,40-,41-,42-,43-,44+,45-,46+,47+/m0/s1 |
| SMILES |
c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)OC)O)O[C@H]1[C@H]([C@H]([C@H]([C@H](O1)COC(=O)CC(=O)OC[C@@H]1O[C@@H](Oc2cc(c3c(c2)oc(cc3=O)c2ccc(cc2)OC)O)[C@@H]([C@H]([C@H]1O)O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Agastache rugosa  | Ref. |
|
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