input word = C00021114

Metabolite InformationStructural formula
Name 2-(2-Hydroxy-4-methylphenyl)-3-(2-methylpropoxy)-1,2-propanediol
Formula C14H22O4
Mw 254.15180919
CAS RN 88010-81-5
C_ID C00021114 ,
InChIKey MRGASLBLNLGTFT-UHFFFAOYNA-N
InChICode InChI=1S/C14H22O4/c1-10(2)7-18-9-14(17,8-15)12-5-4-11(3)6-13(12)16/h4-6,10,15-17H,7-9H2,1-3H3/t14-/m1/s1
SMILES Cc1ccc(C(O)(CO)COCC(C)C)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBrasilia sickii Ref.
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OrganismBrasilia sickii
ReferenceBohlmann,Phytochem.,22,(1983),1213