| Name |
Isobetanin |
| Formula |
C24H26N2O13 |
| Mw |
550.14348893 |
| CAS RN |
15121-53-6 |
| C_ID |
C00001593
, 
|
| InChIKey |
DHHFDKNIEVKVKS-IIANADTINA-N |
| InChICode |
InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)/t12-,14+,17+,18-,19+,20-,24-/m1/s1 |
| SMILES |
O=C(O)C1=C/C(=C/C=[N+]2/c3cc(O)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc3C[C@H]2C(=O)[O-])C[C@H](C(=O)O)N1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Tyr |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Aizoaceae | Mesembryanthemum conspicuum | Ref. |
| Plantae | Aizoaceae | Mesembryanthemum edule  | Ref. |
| Plantae | Amaranthaceae | Amaranthus spp. | Ref. |
| Plantae | Cactaceae | Opuntia ficus-indica | Ref. |
| Plantae | Cactaceae | Opuntia vulgaris | Ref. |
| Plantae | Cactaceae | Phyllocactus hybridus | Ref. |
| Plantae | Caryophyllales | Beta vulgaris | Ref. |
| Plantae | Chenopodiaceae | Spinacia oleracea | Ref. |
| Plantae | Portulacaceae/Montiaceae | Portulaca grandiflora | Ref. |
|
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