input word = C00035040

Metabolite InformationStructural formula
Name Ajugarin II
Formula C22H32O6
Mw 392.21988875
CAS RN 62640-06-6
C_ID C00035040 ,
InChIKey SVOGBBRWINEYPF-ZMIHWROUNA-N
InChICode InChI=1S/C22H32O6/c1-14-10-18(24)22(13-27-19(25)26)17(4-3-8-21(22)12-28-21)20(14,2)9-7-15-5-6-16(23)11-15/h11,14,17-18,24H,3-10,12-13H2,1-2H3,(H,25,26)/t14-,17-,18+,20+,21+,22+/m1/s1
SMILES C[C@@H]1C[C@H](O)[C@]2(COC(=O)O)[C@H](CCC[C@]23CO3)[C@@]1(C)CCC1=CC(=O)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeAjuga remota Ref.
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