input word = C00031584

Metabolite InformationStructural formula
Name Ajugalide D
Formula C21H32O6
Mw 380.21988875
CAS RN 853247-65-1
C_ID C00031584 ,
InChIKey BDMPRXRGZXNSLR-JQAZNNETNA-N
InChICode InChI=1S/C21H32O6/c1-12-8-17(23)21(3)14(19(25)26-4)6-5-7-16(21)20(12,2)10-15(22)13-9-18(24)27-11-13/h9,12,14-17,22-23H,5-8,10-11H2,1-4H3/t12-,14+,15+,16-,17+,20+,21-/m1/s1
SMILES COC(=O)[C@@H]1CCC[C@@H]2[C@@](C)(C[C@H](O)C3=CC(=O)OC3)[C@H](C)C[C@H](O)[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeAjuga taiwanensis Ref.
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