input word = C00032045

Metabolite InformationStructural formula
Name Myriophylloside E
(-)-Myriophylloside E
Formula C42H46O23
Mw 918.24298778
CAS RN 723334-78-9
C_ID C00032045 ,
InChIKey WABORJWBHLRKTN-XAYQRYTFNA-N
InChICode InChI=1S/C42H46O23/c1-15-29(49)33(53)35(55)40(60-15)61-18-11-22(46)28-25(12-18)62-37(17-5-7-19(43)21(45)10-17)38(32(28)52)64-42-39(30(50)23(47)13-59-42)65-41-36(56)34(54)31(51)26(63-41)14-58-27(48)8-4-16-3-6-20(44)24(9-16)57-2/h3-12,15,23,26,29-31,33-36,39-47,49-51,53-56H,13-14H2,1-2H3/b8-4+/t15-,23+,26+,29-,30+,31+,33+,34-,35+,36+,39+,40-,41-,42+/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)COC(=O)/C=C/c1cc(c(cc1)O)OC)c1ccc(c(c1)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeOxytropis myriophylla Ref.
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OrganismOxytropis myriophylla
ReferenceLu,Chem.Pharm.Bull.,54,(2004),276