input word = C00031583

Metabolite InformationStructural formula
Name Ajugalide C
Formula C24H34O8
Mw 450.22536806
CAS RN 853247-64-0
C_ID C00031583 ,
InChIKey DSTKFVXVQRVYIH-HPGQNBATNA-N
InChICode InChI=1S/C24H34O8/c1-14-8-20(32-16(3)26)24(13-30-15(2)25)19(6-5-7-23(24)12-31-23)22(14,4)10-18(27)17-9-21(28)29-11-17/h9,14,18-20,27H,5-8,10-13H2,1-4H3/t14-,18+,19-,20+,22+,23+,24+/m1/s1
SMILES CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](O)C3=CC(=O)OC3)[C@H]1CCC[C@]21CO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeAjuga taiwanensis Ref.
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