| Name |
Ixerin U |
| Formula |
C30H36O12 |
| Mw |
588.22067662 |
| CAS RN |
106647-09-0 |
| C_ID |
C00033974
, 
|
| InChIKey |
RMLMHTWGJWGFGS-WEMCYRSVNA-N |
| InChICode |
InChI=1S/C30H36O12/c1-13-16-8-9-30(3,38)17-11-20(14(2)23(17)27(16)42-28(13)37)40-29-26(36)25(35)24(34)21(41-29)12-39-22(33)7-5-15-4-6-18(31)19(32)10-15/h4-7,10,16-17,21,23-27,29,31-32,34-36,38H,1,8-9,11-12H2,2-3H3/b7-5+/t16-,17+,21+,23-,24+,25-,26+,27-,29+,30-/m0/s1 |
| SMILES |
C=C1C(=O)O[C@@H]2[C@H]3C(C)=C(O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)c(O)c5)[C@@H](O)[C@H](O)[C@H]4O)C[C@H]3C(C)(O)CC[C@@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Ixeris dentata Nakai | Ref. |
|
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