input word = C00031587

Metabolite InformationStructural formula
Name Ajugamarin C1
Formula C24H34O9
Mw 466.22028269
CAS RN 121449-64-7
C_ID C00031587 ,
InChIKey PADJBLVFSWIDDJ-JOFUPVDJNA-N
InChICode InChI=1S/C24H34O9/c1-13-7-19(33-15(3)26)24(12-31-14(2)25)21(17(27)5-6-23(24)11-32-23)22(13,4)9-18(28)16-8-20(29)30-10-16/h8,13,17-19,21,27-28H,5-7,9-12H2,1-4H3/t13-,17-,18+,19+,21-,22+,23+,24-/m1/s1
SMILES [C@H]1(C[C@@H]([C@@]2([C@@H]([C@]1(C[C@@H](C1=CC(=O)OC1)O)C)[C@@H](CC[C@]12OC1)O)COC(=O)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeAjuga taiwanensis Ref.
zoom in