input word = C00057979

Metabolite InformationStructural formula
Name Vignatic acid B
Formula C27H41N3O7
Mw 519.29445069
CAS RN 181485-20-1
C_ID C00057979
InChIKey OPWAZQSWJQLOAK-CXFLKDOESA-N
InChICode InChI=1S/C27H41N3O7/c1-14(2)11-19-24(32)29-20(27(35)36)13-17-7-9-18(10-8-17)37-23(16(5)6)22(26(34)28-19)30-25(33)21(31)12-15(3)4/h7-10,14-16,19-23,31H,11-13H2,1-6H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)/t19-,20-,21?,22-,23-/m0/s1
SMILES CC(C)CC(O)C(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)Cc2ccc(cc2)O[C@H]1C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeVigna radiata Ref.
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