input word = C00044068

Metabolite InformationStructural formula
Name 6-Feruloylcatalpol
Formula C25H30O12
Mw 522.17372642
CAS RN 125205-48-3
C_ID C00044068 ,
InChIKey MJBZYCFAANZGIW-HWKANZRONA-N
InChICode InChI=1S/C25H30O12/c1-33-15-8-11(2-4-13(15)28)3-5-14(29)17-12-6-7-34-23(18(12)25(10-27)22(17)37-25)36-24-21(32)20(31)19(30)16(9-26)35-24/h2-8,12,16-24,26-28,30-32H,9-10H2,1H3/b5-3+/t12-,16-,17+,18+,19-,20-,21+,22+,23-,24+,25-/m1/s1
SMILES c1(c(cc(cc1)/C=C/C(=O)[C@@H]1[C@@H]2[C@H]([C@@]3([C@H]1O3)CO)[C@H](OC=C2)O[C@@H]1O[C@@H]([C@H]([C@H]([C@@H]1O)O)O)CO)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaePicrorhiza scrophulariiflora Ref.
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OrganismPicrorhiza scrophulariiflora
ReferenceLi,Phytochem.,48,(1998),537