input word = C00003642

Metabolite InformationStructural formula
Name Ajugalactone
Formula C29H40O8
Mw 516.27231825
CAS RN 42975-12-2
C_ID C00003642 ,
InChIKey LLPOMLNTBDOEOC-LPZASMAENA-N
InChICode InChI=1S/C29H40O8/c1-6-15-9-24(37-25(34)14(15)2)28(5,35)22-7-8-29(36)17-10-19(30)18-11-20(31)21(32)13-26(18,3)16(17)12-23(33)27(22,29)4/h10,16,18,20-22,24,31-32,35-36H,6-9,11-13H2,1-5H3/t16-,18-,20+,21-,22-,24+,26+,27-,28+,29+/m0/s1
SMILES [C@H]1([C@@H](C[C@@H]2[C@](C1)([C@@H]1C(=CC2=O)[C@]2([C@](C(=O)C1)([C@H](CC2)[C@]([C@H]1CC(=C(C(=O)O1)C)CC)(O)C)C)O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeAjuga chamaepitys Ref.
PlantaeLabiataeAjuga reptans Ref.
PlantaeLabiataeAjuga taiwanensis Ref.
PlantaeLabiataeAjuga turkestanica Ref.
zoom in



OrganismAjuga turkestanica
ReferenceUsmanov,Khim.Prir.Soedin.,(1977),710