| Name |
Isocrenatoside |
| Formula |
C29H34O15 |
| Mw |
622.18977042 |
| CAS RN |
221895-09-6 |
| C_ID |
C00046045
, 
|
| InChIKey |
FYNJOHBQQZWZTB-RHTYQDPTNA-N |
| InChICode |
InChI=1S/C29H34O15/c1-12-22(35)24(37)25(38)28(41-12)44-26-23(36)20(11-39-21(34)7-3-13-2-5-15(30)17(32)8-13)43-29-27(26)42-19(10-40-29)14-4-6-16(31)18(33)9-14/h2-9,12,19-20,22-33,35-38H,10-11H2,1H3/b7-3+/t12-,19+,20+,22-,23+,24+,25+,26-,27+,28-,29+/m0/s1 |
| SMILES |
c1c(c(cc(c1)[C@H]1CO[C@H]2[C@H](O1)[C@H]([C@@H]([C@H](O2)COC(=O)/C=C/c1cc(c(cc1)O)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Globulariaceae | Globularia trichosantha | Ref. |
| Plantae | Labiatae | Microtoena prainiana | Ref. |
|
|
zoom in
| Organism | Microtoena prainiana |
|---|
| Reference | Li, et al., Journal of Natural Products, 67, (2004), 978 |
|---|
|
