input word = C00053410

Metabolite InformationStructural formula
Name Kuguaglycoside A
Formula C37H62O8
Mw 634.44446896
CAS RN 1041631-92-8
C_ID C00053410
InChIKey XKIOBGLXHAQKNC-QQTXJLPISA-N
InChICode InChI=1S/C37H62O8/c1-20(2)16-22(44-33-31(42)30(41)29(40)27(19-38)45-33)17-21(3)23-12-13-37(8)32-26(43-9)18-25-24(10-11-28(39)34(25,4)5)35(32,6)14-15-36(23,37)7/h16,18,21-24,26-33,38-42H,10-15,17,19H2,1-9H3/t21-,22?,23-,24-,26+,27-,28+,29-,30+,31-,32-,33-,35+,36-,37+/m1/s1
SMILES CO[C@H]1C=C2[C@@H](CC[C@H](O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)CC(C=C(C)C)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]3(C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica balsamina Ref.
PlantaeCucurbitaceaeMomordica charantia Ref.
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