input word = C00063730

Metabolite InformationStructural formula
Name Gentiside J
Formula C28H48O4
Mw 448.35526002
CAS RN 1239178-28-9
C_ID C00063730
InChIKey BFWBTIXVUPMKPV-UHFFFAOYSA-N
InChICode InChI=1S/C28H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-32-28(31)25-22-21-23-26(29)27(25)30/h21-23,29-30H,2-20,24H2,1H3
SMILES CCCCCCCCCCCCCCCCCCCCCOC(=O)c1cccc(O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana rigescens Ref.
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