input word = C00037550

Metabolite InformationStructural formula
Name Nigrumin-5-ferulate
Formula C21H25NO10
Mw 451.14784603
CAS RN 437763-39-8
C_ID C00037550 ,
InChIKey ZZGPJESHTGYKSG-YEGNJOEONA-N
InChICode InChI=1S/C21H25NO10/c1-29-15-8-12(2-4-14(15)24)3-5-17(25)31-11-13(9-22)6-7-30-21-20(28)19(27)18(26)16(10-23)32-21/h2-6,8,16,18-21,23-24,26-28H,7,10-11H2,1H3/b5-3+,13-6+/t16-,18+,19+,20-,21-/m1/s1
SMILES c1(ccc(cc1OC)/C=C/C(=O)OC/C(=C/CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)/C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeGrossulariaceaeRibes nigrum Ref.
zoom in