input word = C00058548

Metabolite InformationStructural formula
Name Javanicinoside H
Formula C35H46O16
Mw 722.27858542
CAS RN 140447-13-8
C_ID C00058548
InChIKey OWMQOHYLQGALRH-NZFPOBKMSA-N
InChICode InChI=1S/C35H46O16/c1-14(37)47-30-27(51-31(43)15-5-8-18-19(9-15)46-13-45-18)28-33(2)16(6-7-17(38)29(33)42)10-22-34(28,3)21(35(30,4)44)11-23(49-22)50-32-26(41)25(40)24(39)20(12-36)48-32/h5,8-9,16-17,20-28,30,32,36,38-41,44H,6-7,10-13H2,1-4H3/t16-,17+,20-,21-,22-,23+,24-,25+,26-,27+,28-,30-,32+,33+,34-,35+/m1/s1
SMILES CC(=O)O[C@@H]1[C@@H](OC(=O)c2ccc3c(c2)OCO3)[C@@H]2[C@@]3(C)C(=O)[C@@H](O)CC[C@@H]3C[C@H]3O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C[C@@H]([C@]1(C)O)[C@@]23C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaePicrasma javanica Ref.
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