input word = C00064253

Metabolite InformationStructural formula
Name Anadoline
Formula C20H31NO7
Mw 397.21005235
CAS RN 28513-29-3
C_ID C00064253
InChIKey
InChICode InChI=1S/C20H31NO7/c1-5-12(2)19(24)27-10-13(3)18(23)14(4)20(25)28-11-15-6-8-21(26)9-7-16(22)17(15)21/h5-6,13-14,16-18,22-23H,7-11H2,1-4H3/b12-5+;InChI=1S/C20H31NO7/c1-5-12(2)19(24)27-10-13(3)18(23)14(4)20(25)28-11-15-6-8-21(26)9-7-16(22)17(15)21/h5-6,13-14,16-18,22-23H,7-11H2,1-4H3/b12-5+/t13?,14-,16-,17-,18+,21?/m1/s1
SMILES CC=C(C)C(=O)OCC(C)C(O)C(C)C(=O)OCC1=CC[N+]2([O-])CCC(O)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBoraginaceaeSymphytum orientale Ref.
PlantaeBoraginaceaeSymphytum tuberosum Ref.
zoom in