input word = C00035234

Metabolite InformationStructural formula
Name 6-O-Vanilloyl-ajugol
(-)-6-O-Vanilloyl-ajugol
Formula C23H30O12
Mw 498.17372642
CAS RN 124168-04-3
C_ID C00035234 ,
InChIKey PJAISAAYEQAVGA-IDGLVNEJNA-N
InChICode InChI=1S/C23H30O12/c1-23(30)8-14(33-20(29)10-3-4-12(25)13(7-10)31-2)11-5-6-32-21(16(11)23)35-22-19(28)18(27)17(26)15(9-24)34-22/h3-7,11,14-19,21-22,24-28,30H,8-9H2,1-2H3/t11-,14-,15-,16-,17-,18+,19-,21+,22+,23+/m1/s1
SMILES COc1cc(C(=O)O[C@@H]2C[C@](C)(O)[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C[C@H]32)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBignoniaceaeTabebuia impetiginosa (MArt.ex.DC) Ref.
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
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OrganismRehmannia glutinosa
Referencehttps://doi.org/10.1016/S0031-9422(00)97934-2

https://doi.org/10.1016/S0031-9422(00)98072-5