input word = C00006347

Metabolite InformationStructural formula
Name 6'''-(3-Hydroxy-3-methylglutaroyl)isoviolanthin
Formula C33H38O18
Mw 722.20581441
CAS RN 156998-79-7
C_ID C00006347 ,
InChIKey HJERPRJJPPOOLZ-HTSDEVTANA-N
InChICode InChI=1S/C33H38O18/c1-11-22(39)26(43)28(45)31(49-11)20-24(41)19-14(35)7-15(12-3-5-13(34)6-4-12)50-30(19)21(25(20)42)32-29(46)27(44)23(40)16(51-32)10-48-18(38)9-33(2,47)8-17(36)37/h3-7,11,16,22-23,26-29,31-32,34,39-47H,8-10H2,1-2H3,(H,36,37)/t11-,16+,22+,23+,26+,27-,28-,29+,31+,32+,33+/m1/s1
SMILES CC1O[C@@H](c2c(O)c([C@@H]3O[C@@H](COC(=O)CC(C)(O)CC(=O)O)[C@@H](O)C(O)C3O)c3oc(-c4ccc(O)cc4)cc(=O)c3c2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycyrrhiza eurycarpa Ref.
PlantaeFabaceaeGlycyrrhiza glabra Ref.
PlantaeFabaceaeGlycyrrhiza inflata Ref.
PlantaeFabaceaeGlycyrrhiza uralensis Ref.
zoom in