input word = C00052856

Metabolite InformationStructural formula
Name Balsaminagenin A
Formula C30H50O4
Mw 474.37091008
CAS RN 1193748-69-4
C_ID C00052856
InChIKey HNKIJKIXTVRGHM-LJCAWPEMSA-N
InChICode InChI=1S/C30H50O4/c1-19(9-8-13-26(2,3)34)20-12-14-30(7)25-23(32)17-22-21(10-11-24(33)28(22,5)18-31)27(25,4)15-16-29(20,30)6/h8,13,17,19-21,23-25,31-34H,9-12,14-16,18H2,1-7H3/b13-8+/t19-,20-,21-,23+,24+,25-,27+,28-,29-,30+/m1/s1
SMILES C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)[C@]4(C)CO)[C@]3(C)CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica balsamina Ref.
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