input word = C00037551

Metabolite InformationStructural formula
Name Nigrumin-5-p-coumarate
Formula C20H23NO9
Mw 421.13728134
CAS RN 437763-35-4
C_ID C00037551 ,
InChIKey CUXBICPZQSXIEU-QBKRGSLKNA-N
InChICode InChI=1S/C20H23NO9/c21-9-13(11-29-16(24)6-3-12-1-4-14(23)5-2-12)7-8-28-20-19(27)18(26)17(25)15(10-22)30-20/h1-7,15,17-20,22-23,25-27H,8,10-11H2/b6-3+,13-7+/t15-,17-,18+,19-,20-/m1/s1
SMILES N#C/C(=CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)COC(=O)/C=C/c1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeGrossulariaceaeRibes nigrum Ref.
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