input word = C00058544

Metabolite InformationStructural formula
Name Javanicinoside D
Formula C27H42O12
Mw 558.26762681
CAS RN 140447-11-6
C_ID C00058544
InChIKey PEGCXGNQYFJZJU-ARGVZPBWSA-N
InChICode InChI=1S/C27H42O12/c1-25-11(6-7-12(35-4)22(25)33)8-15-26(2)14(27(3,34)23(36-5)20(32)21(25)26)9-16(38-15)39-24-19(31)18(30)17(29)13(10-28)37-24/h7,11,13-21,23-24,28-32,34H,6,8-10H2,1-5H3/t11-,13-,14-,15-,16+,17-,18+,19-,20+,21-,23-,24+,25+,26-,27+/m1/s1
SMILES COC1=CC[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@](C)(O)[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. Ishii et al., Chem. Abs., (1991), 116, 211116.