input word = C00057978

Metabolite InformationStructural formula
Name Vignatic acid A
Formula C30H39N3O7
Mw 553.27880062
CAS RN 181485-19-8
C_ID C00057978
InChIKey OEJLUFSEWIDXDN-HJWJFLBDSA-N
InChICode InChI=1S/C30H39N3O7/c1-17(2)14-24(34)28(36)33-25-26(18(3)4)40-21-12-10-20(11-13-21)16-23(30(38)39)32-27(35)22(31-29(25)37)15-19-8-6-5-7-9-19/h5-13,17-18,22-26,34H,14-16H2,1-4H3,(H,31,37)(H,32,35)(H,33,36)(H,38,39)/t22-,23-,24?,25-,26-/m0/s1
SMILES CC(C)CC(O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccccc2)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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OrganismVigna radiata
ReferenceSugawara, F. et al., J. Agric. Food Chem., 1996, 44, 3360-3364 (isol, pmr, cmr, hplc)