input word = C00063720

Metabolite InformationStructural formula
Name Gentiside A
Formula C29H50O4
Mw 462.37091008
CAS RN 1225022-66-1
C_ID C00063720
InChIKey XHAJOICBJURAOT-UHFFFAOYSA-N
InChICode InChI=1S/C29H50O4/c1-25(2)21-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-24-33-29(32)26-22-20-23-27(30)28(26)31/h20,22-23,25,30-31H,3-19,21,24H2,1-2H3
SMILES CC(C)CCCCCCCCCCCCCCCCCCCOC(=O)c1cccc(O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana rigescens Ref.
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OrganismGentiana rigescens
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 2, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.