input word = C00038396

Metabolite InformationStructural formula
Name Ajugin F
(+)-Ajugin F
Formula C28H40O6
Mw 472.28248901
CAS RN 261705-99-1
C_ID C00038396 ,
InChIKey WBHXRFICUBWLCX-DMYMPQJBNA-N
InChICode InChI=1S/C28H40O6/c1-16-14-22(34-24(31)19(16)15-29)17(2)27(32)12-13-28(33)21-9-8-18-6-5-7-23(30)26(18,4)20(21)10-11-25(27,28)3/h8,17,20-22,29,32-33H,5-7,9-15H2,1-4H3/t17-,20+,21-,22-,25+,26+,27+,28-/m1/s1
SMILES C1CCC2=CC[C@@H]3[C@@H]([C@]2(C1=O)C)CC[C@@]1([C@]3(CC[C@@]1([C@@H]([C@H]1CC(=C(C(=O)O1)CO)C)C)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeAjuga parviflora Ref.
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OrganismAjuga parviflora
ReferenceNawaz,Phytochem.,52,(1999),1357