input word = C00054729

Metabolite InformationStructural formula
Name Charantoside I
Formula C37H58O8
Mw 630.41316883
CAS RN 951646-17-6
C_ID C00054729
InChIKey XTMJHIYXJLZGJC-CGLOHJMOSA-N
InChICode InChI=1S/C37H58O8/c1-21(2)10-9-11-22(3)23-14-16-35(7)25-15-17-37-26(36(25,32(42-8)45-37)19-18-34(23,35)6)12-13-27(33(37,4)5)44-31-30(41)29(40)28(39)24(20-38)43-31/h9-10,15,17,22-32,38-41H,1,11-14,16,18-20H2,2-8H3/b10-9+/t22-,23-,24-,25+,26+,27+,28-,29+,30-,31+,32-,34-,35+,36+,37-/m1/s1
SMILES CC1(C)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)CC[C@@]3([H])[C@]45[C@@]([C@@](CC[C@@]6([C@H](C)C/C=C/C(C)=C)[H])(C)[C@]6(C)CC5)([H])C=C[C@]13O[C@H]4OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica charantia Ref.
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