input word = C00045847

Metabolite InformationStructural formula
Name Dictamnoside J
Formula C21H38O9
Mw 434.25158281
CAS RN 359845-48-0
C_ID C00045847 ,
InChIKey VGXNFZRPOVNSBV-JMMXMXBFNA-N
InChICode InChI=1S/C21H38O9/c1-19(2,27)10-5-7-20(3)12(23)6-8-21(4,28)17(20)16(10)30-18-15(26)14(25)13(24)11(9-22)29-18/h10-18,22-28H,5-9H2,1-4H3/t10-,11-,12+,13-,14+,15-,16-,17+,18+,20-,21+/m1/s1
SMILES [C@H]1(CC[C@]2([C@H]([C@@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)[C@](CC[C@@H]2O)(O)C)C)C(C)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeDictamnus dasycarpus Ref.
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