input word = C00035233

Metabolite InformationStructural formula
Name 6-O-(4-Hydroxybenzoyl)-ajugol
Formula C22H28O11
Mw 468.16316174
CAS RN 125180-69-0
C_ID C00035233 ,
InChIKey MYLAQALEHHPXFU-XAVQNBDANA-N
InChICode InChI=1S/C22H28O11/c1-22(29)8-13(31-19(28)10-2-4-11(24)5-3-10)12-6-7-30-20(15(12)22)33-21-18(27)17(26)16(25)14(9-23)32-21/h2-7,12-18,20-21,23-27,29H,8-9H2,1H3/t12-,13+,14-,15-,16+,17+,18-,20+,21+,22+/m1/s1
SMILES C[C@]1(O)C[C@H](OC(=O)c2ccc(O)cc2)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBignoniaceaeTabebuia avellanedae Ref.
PlantaeBignoniaceaeTabebuia impetiginosa (MArt.ex.DC) Ref.
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
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