input word = C00058545

Metabolite InformationStructural formula
Name Javanicinoside E
Formula C37H52O14
Mw 720.33570637
CAS RN 140447-12-7
C_ID C00058545
InChIKey METUZLXRIWHMAA-CKYANYJSSA-N
InChICode InChI=1S/C37H52O14/c1-8-16(2)33(45)48-21-13-35(4,31(43)18-10-25(39)47-15-18)23-12-26(51-34-29(42)28(41)27(40)22(14-38)49-34)50-24-11-19-17(3)9-20(46-7)32(44)36(19,5)30(21)37(23,24)6/h8-9,17-19,21-24,26-30,34,38,40-42H,10-15H2,1-7H3/b16-8+/t17-,18-,19+,21-,22-,23+,24-,26+,27-,28+,29-,30-,34+,35-,36+,37-/m1/s1
SMILES C/C=C(C)C(=O)O[C@@H]1C[C@@](C)(C(=O)[C@H]2COC(=O)C2)[C@@H]2C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@@H]3C[C@H]4[C@H](C)C=C(OC)C(=O)[C@]4(C)[C@@H]1[C@]23C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaePicrasma javanica Ref.
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