| Name |
Malonylshisonin |
| Formula |
C39H39O21 |
| Mw |
843.19838331 |
| CAS RN |
129932-00-9 |
| C_ID |
C00006824
, 
|
| InChIKey |
HCZDGTUAMVKZNE-NZGPRJMWNA-O |
| InChICode |
InChI=1S/C39H38O21/c40-18-5-1-16(2-6-18)3-8-29(46)54-14-26-31(48)34(51)36(53)39(60-26)58-25-12-20-23(56-37(25)17-4-7-21(42)22(43)9-17)10-19(41)11-24(20)57-38-35(52)33(50)32(49)27(59-38)15-55-30(47)13-28(44)45/h1-12,26-27,31-36,38-39,48-53H,13-15H2,(H4-,40,41,42,43,44,45,46)/p+1/t26-,27+,31-,32-,33+,34+,35-,36-,38-,39-/m1/s1 |
| SMILES |
O=C(O)CC(=O)OCC1O[C@@H](Oc2cc(O)cc3[o+]c(-c4ccc(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]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Hyacinthaceae | Hyacinthus orientalis | Ref. |
| Plantae | Labiatae | Agastache aurantiaca | Ref. |
| Plantae | Labiatae | Hyptis eriocephala | Ref. |
| Plantae | Labiatae | Lamium spp. | Ref. |
| Plantae | Labiatae | Lavandula stoechas  | Ref. |
| Plantae | Labiatae | Perilla ocimoides var.crispa | Ref. |
| Plantae | Labiatae | Phlomis tuberosa | Ref. |
| Plantae | Labiatae | Prunella spp. | Ref. |
| Plantae | Labiatae | Salvia spp. | Ref. |
| Plantae | Labiatae | Satureja fruticosa | Ref. |
| Plantae | Labiatae | Stachys spp. | Ref. |
|
|
zoom in
| Organism | Prunella spp. |
|---|
| Reference | Harborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins
Takeda,Phytochem.,25,(1986),2191
Saito,Phytochem.,31,(1992),3009 |
|---|
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