input word = C00032043

Metabolite InformationStructural formula
Name Myriophylloside C
(-)-Myriophylloside C
Formula C41H44O23
Mw 904.22733772
CAS RN 723334-72-3
C_ID C00032043 ,
InChIKey XMTQSSQPVSUTOK-CZDXUORFNA-N
InChICode InChI=1S/C41H44O23/c1-14-28(49)32(53)34(55)39(59-14)60-17-10-22(46)27-24(11-17)61-36(16-4-6-19(43)21(45)9-16)37(31(27)52)63-41-38(29(50)23(47)12-58-41)64-40-35(56)33(54)30(51)25(62-40)13-57-26(48)7-3-15-2-5-18(42)20(44)8-15/h2-11,14,23,25,28-30,32-35,38-47,49-51,53-56H,12-13H2,1H3/b7-3+/t14-,23-,25+,28-,29-,30+,32+,33-,34+,35+,38-,39-,40-,41-/m0/s1
SMILES C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)c(O)c5)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeOxytropis myriophylla Ref.
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