input word = C00033579

Metabolite InformationStructural formula
Name 6-Feruloyl ajugol
6-O-(E)-Feruloyl ajugol
Formula C25H32O12
Mw 524.18937649
CAS RN 124168-06-5
C_ID C00033579 ,
InChIKey LOCASNZLOPRAJY-HTTOOJNINA-N
InChICode InChI=1S/C25H32O12/c1-25(32)10-16(35-18(28)6-4-12-3-5-14(27)15(9-12)33-2)13-7-8-34-23(19(13)25)37-24-22(31)21(30)20(29)17(11-26)36-24/h3-9,13,16-17,19-24,26-27,29-32H,10-11H2,1-2H3/b6-4+/t13-,16-,17-,19-,20-,21+,22-,23+,24+,25+/m1/s1
SMILES COc1cc(/C=C/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
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
PlantaeScrophulariaceaeTriaenophora rupestris Ref.
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