input word = C00058549

Metabolite InformationStructural formula
Name Javanicinoside I
Formula C27H40O12
Mw 556.25197674
CAS RN 141238-28-0
C_ID C00058549
InChIKey MWEXQEQGVYVNNL-JTBIFPBKSA-N
InChICode InChI=1S/C27H40O12/c1-10-11-7-17(39-25-20(32)19(31)18(30)15(9-28)37-25)38-16-6-12-13(29)8-14(35-4)24(34)27(12,3)23(26(11,16)2)21(33)22(10)36-5/h8,10-12,15-23,25,28,30-33H,6-7,9H2,1-5H3/t10-,11+,12+,15-,16-,17+,18-,19+,20-,21-,22+,23+,25+,26-,27+/m1/s1
SMILES COC1=CC(=O)[C@@H]2C[C@H]3O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C[C@H]4[C@@H](C)[C@H](OC)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaePicrasma javanica Ref.
zoom in



OrganismPicrasma javanica
ReferenceK. Koike et al., Chem. Abs., (1992), 116, 231896.