input word = C00030030

Metabolite InformationStructural formula
Name Cucurbitacin G 2-O-beta-D-glucopyranoside
Formula C36H56O13
Mw 696.37209188
CAS RN 923270-23-9
C_ID C00030030 ,
InChIKey LSHJIKPRGKPBEX-HTDCSRARNA-N
InChICode InChI=1S/C36H56O13/c1-31(2)16-9-10-21-33(5)13-18(38)28(36(8,47)23(40)12-22(39)32(3,4)46)34(33,6)14-24(41)35(21,7)17(16)11-19(29(31)45)48-30-27(44)26(43)25(42)20(15-37)49-30/h9,17-22,25-28,30,37-39,42-44,46-47H,10-15H2,1-8H3/t17-,18-,19+,20-,21+,22-,25-,26+,27-,28+,30-,33+,34-,35+,36+/m1/s1
SMILES CC1(C)C(=O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@H]2C1=CC[C@@H]1[C@@]2(C)C(=O)C[C@]2(C)[C@@H]([C@@](C)(O)C(=O)CC(O)C(C)(C)O)[C@H](O)C[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeHelicteres angustifolia Ref.
zoom in