input word = C00035964

Metabolite InformationStructural formula
Name 6-O-(4-Methoxybenzoyl)-ajugol
(-)-6-O-(4-Methoxybenzoyl)-ajugol
Formula C23H30O11
Mw 482.1788118
CAS RN 146564-46-7
C_ID C00035964 ,
InChIKey TYZRNRJFBKBHEC-CTSGNTTINA-N
InChICode InChI=1S/C23H30O11/c1-23(29)9-14(32-20(28)11-3-5-12(30-2)6-4-11)13-7-8-31-21(16(13)23)34-22-19(27)18(26)17(25)15(10-24)33-22/h3-8,13-19,21-22,24-27,29H,9-10H2,1-2H3/t13-,14-,15-,16-,17-,18+,19-,21+,22+,23+/m1/s1
SMILES COc1ccc(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)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBignoniaceaeTabebuia avellanedae Ref.
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OrganismTabebuia avellanedae
ReferenceAwale,Chem.Pharm.Bull.,53,(2005),710