input word = C00020016

Metabolite InformationStructural formula
Name Ptilostol
Formula C15H16O5
Mw 276.09977362
CAS RN 150417-72-4
C_ID C00020016 ,
InChIKey MDDKIDGITDCVTE-UHFFFAOYNA-N
InChICode InChI=1S/C15H16O5/c1-15(2,17)12-6-9-11(19-12)7-10(18-3)8-4-5-13(16)20-14(8)9/h4-5,7,12,17H,6H2,1-3H3/t12-/m0/s1
SMILES COc1cc2c(c3oc(=O)ccc13)CC(C(C)(C)O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeHaplophyllum ptilostylum Ref.
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