input word = C00058547

Metabolite InformationStructural formula
Name Javanicinoside G
Formula C35H48O14
Mw 692.30440624
CAS RN 140475-16-7
C_ID C00058547
InChIKey BXZDDBWHOJGPNH-VTENNHFZSA-N
InChICode InChI=1S/C35H48O14/c1-15-18-12-24(48-33-27(39)26(38)25(37)22(13-36)46-33)47-23-11-17-7-9-20(42-4)31(40)34(17,2)30(35(18,23)3)29(28(15)43-5)49-32(41)16-6-8-19-21(10-16)45-14-44-19/h6,8,10,15,17-18,20,22-30,33,36-39H,7,9,11-14H2,1-5H3/t15-,17-,18+,20+,22-,23-,24+,25-,26+,27-,28+,29-,30-,33+,34+,35-/m1/s1
SMILES CO[C@H]1[C@H](C)[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]4CC[C@H](OC)C(=O)[C@]4(C)[C@@H]([C@@H]1OC(=O)c1ccc4c(c1)OCO4)[C@@]32C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaePicrasma javanica Ref.
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