| Name |
Macrocalyxin A |
| Formula |
C24H30O9 |
| Mw |
462.18898256 |
| CAS RN |
93862-07-8 |
| C_ID |
C00051397
|
| InChIKey |
YJBFBQDJUCNOBU-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C24H30O9/c1-10-13-8-14(31-11(2)25)16-23-9-30-20(28)17(23)22(4,5)7-6-15(23)33-21(29)24(16,18(10)27)19(13)32-12(3)26/h13-17,19-20,28H,1,6-9H2,2-5H3/t13-,14+,15-,16-,17+,19?,20+,23-,24-/m0/s1 |
| SMILES |
C=C1C(=O)C23C(=O)OC4CCC(C)(C)C5C(O)OCC45C2C(OC(C)=O)CC1C3OC(C)=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Isodon macrocalyx | Ref. |
|
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