input word = C00063642

Metabolite InformationStructural formula
Name Momordicoside S
Formula C48H82O20
Mw 978.53994506
CAS RN 1095846-99-3
C_ID C00063642
InChIKey FLOZMFUXKAHVBX-JCXXTIGUSA-N
InChICode InChI=1S/C48H82O20/c1-20(29(51)36(58)40(62)45(4,5)68-43-39(61)34(56)31(53)25(18-50)65-43)21-13-14-48(8)27-11-9-22-23(46(27,6)15-16-47(21,48)7)10-12-28(44(22,2)3)67-42-38(60)35(57)32(54)26(66-42)19-63-41-37(59)33(55)30(52)24(17-49)64-41/h9,20-21,23-43,49-62H,10-19H2,1-8H3/t20-,21+,23+,24+,25+,26+,27+,28-,29-,30+,31+,32+,33-,34-,35-,36+,37+,38+,39+,40+,41+,42-,43-,46-,47+,48-/m0/s1
SMILES CC(C(O)C(O)C(O)C(C)(C)OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C4(C)C)C3(C)CCC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica charantia Ref.
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