input word = C00052863

Metabolite InformationStructural formula
Name Balsaminoside A
Formula C37H62O8
Mw 634.44446896
CAS RN 1193748-71-8
C_ID C00052863
InChIKey SIFXZLRBHSSMMW-XSMGFAGHSA-N
InChICode InChI=1S/C37H62O8/c1-21(11-10-15-33(2,3)43-9)22-14-16-37(8)31-25(44-32-30(42)29(41)28(40)26(20-38)45-32)19-24-23(12-13-27(39)34(24,4)5)35(31,6)17-18-36(22,37)7/h10,15,19,21-23,25-32,38-42H,11-14,16-18,20H2,1-9H3/b15-10+/t21-,22-,23-,25+,26-,27+,28-,29-,30-,31-,32-,35+,36-,37+/m1/s1
SMILES COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]4O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica balsamina Ref.
zoom in