| Name |
Tetragonolide 2-methylbutyrate |
| Formula |
C26H35ClO11 |
| Mw |
558.18678967 |
| CAS RN |
119863-95-5 |
| C_ID |
C00011742
, 
|
| InChIKey |
YWPYYKGRHLJLGA-DTRSKTSPNA-N |
| InChICode |
InChI=1S/C26H35ClO11/c1-6-12(3)22(30)35-19-17(25(33)34-5)15-8-9-26(11-27,38-15)21(29)20-16(13(4)23(31)37-20)18(19)36-24(32)14(7-2)10-28/h7,12,15-21,28-29H,4,6,8-11H2,1-3,5H3/b14-7-/t12-,15+,16-,17+,18+,19+,20+,21-,26+/m1/s1 |
| SMILES |
[C@@H]12[C@@H]([C@@H]([C@H]([C@@H]3[C@@H]([C@H]([C@](CC1)(CCl)O2)O)OC(=O)C3=C)OC(=O)/C(=C\C)/CO)OC(=O)[C@H](C)CC)C(=O)OC |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Tetragonotheca ludoviciana | Ref. |
|
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