| Name |
Dimalonylawobanin |
| Formula |
C42H41O25 |
| Mw |
945.19369187 |
| CAS RN |
128508-49-6 |
| C_ID |
C00006888
, 
|
| InChIKey |
LVWQQRKFDAHVIR-JIAWTSICNA-O |
| InChICode |
InChI=1S/C42H40O25/c43-18-4-1-16(2-5-18)3-6-30(51)60-14-26-34(55)35(56)37(58)41(65-26)64-25-11-20-23(62-39(25)17-7-21(45)33(54)22(46)8-17)9-19(44)10-24(20)63-42-38(59)36(57)40(67-32(53)13-29(49)50)27(66-42)15-61-31(52)12-28(47)48/h1-11,26-27,34-38,40-42,55-59H,12-15H2,(H6-,43,44,45,46,47,48,49,50,51,54)/p+1/t26-,27-,34+,35-,36+,37+,38+,40+,41+,42+/m0/s1 |
| SMILES |
O=C(O)CC(=O)OCC1O[C@@H](Oc2cc(O)cc3[o+]c(-c4cc(O)c(O)c(O)c4)c(O[C@@H]4OC(COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)C(O)C4O)cc23)C(O)[C@@H](O)[C@@H]1OC(=O)CC(=O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Hyssopus officinalis  | Ref. |
| Plantae | Labiatae | Lavandula dentata | Ref. |
| Plantae | Labiatae | Nepeta macrantha | Ref. |
| Plantae | Labiatae | Plectranthus neochilus | Ref. |
| Plantae | Labiatae | Salvia castanea | Ref. |
| Plantae | Labiatae | Salvia splendens | Ref. |
|
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