input word = C00055277

Metabolite InformationStructural formula
Name Centellin
Formula C15H22O3
Mw 250.15689457
CAS RN 1000808-24-1
C_ID C00055277
InChIKey XQQSULFEUQBCLQ-MDZDMXLPSA-N
InChICode InChI=1S/C15H22O3/c1-4-6-7-8-9-10-15(18-13(3)16)12-11-14(17)5-2/h5,9-10,14-15,17H,2,4,6-8H2,1,3H3/b10-9+
SMILES CCCCC/C=C/C(OC(C)=O)C#CC(O)C=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeCentella asiatica Ref.
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