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 COc1cc(/C=C/C(=O)OC/C(C#N)=C/CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeGrossulariaceaeRibes nigrum Ref.
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