input word = C00056961

Metabolite InformationStructural formula
Name Momordicoside U
Formula C37H60O9
Mw 648.42373351
CAS RN 1228785-48-5
C_ID C00056961
InChIKey NNSVJRSMGWGPSI-KCLFJBJZSA-N
InChICode InChI=1S/C37H60O9/c1-20(2)17-22(39)18-21(3)23-11-13-35(7)25-12-14-37-26(36(25,32(43-8)46-37)16-15-34(23,35)6)9-10-27(33(37,4)5)45-31-30(42)29(41)28(40)24(19-38)44-31/h12,14,17,21-32,38-42H,9-11,13,15-16,18-19H2,1-8H3/t21-,22+,23-,24-,25+,26+,27+,28-,29-,30-,31+,32-,34-,35+,36+,37-/m1/s1
SMILES O[C@@H]1[C@@H](CO)O[C@@H](O[C@@H]2C(C)(C)[C@](C=C[C@]3([H])[C@@]45CC[C@@]6(C)[C@@]3(C)CC[C@]6([H])[C@H](C)C[C@@H](O)/C=C(C)/C)(O[C@H]5OC)[C@@]4([H])CC2)[C@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica charantia Ref.
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