| Name |
Macrocalyxin J |
| Formula |
C22H28O8 |
| Mw |
420.17841787 |
| CAS RN |
943898-28-0 |
| C_ID |
C00048474
, 
|
| InChIKey |
IUTQENBSCNDASJ-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C22H28O8/c1-9-11-7-12(24)14-21-8-28-18(26)15(21)20(3,4)6-5-13(21)30-19(27)22(14,16(9)25)17(11)29-10(2)23/h11-15,17-18,24,26H,1,5-8H2,2-4H3/t11-,12+,13+,14+,15+,17+,18-,21-,22-/m0/s1 |
| SMILES |
[C@H]1([C@H]2C[C@H]([C@H]3[C@@]1(C(=O)C2=C)C(=O)O[C@H]1[C@@]23[C@@H](C(CC1)(C)C)[C@H](OC2)O)O)OC(=O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Isodon sinuolata | Ref. |
|
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