input word = C00045594

Metabolite InformationStructural formula
Name 8-Hydroxy-9-isobutyryloxy-10(2)-methylbutyrylthymol
Formula C19H28O6
Mw 352.18858863
CAS RN 342812-40-2
C_ID C00045594 ,
InChIKey IHCGYZLHGZMPTF-UHFFFAOYNA-N
InChICode InChI=1S/C19H28O6/c1-6-14(5)18(22)25-11-19(23,10-24-17(21)12(2)3)15-8-7-13(4)9-16(15)20/h7-9,12,14,20,23H,6,10-11H2,1-5H3/t14-,19-/m0/s1
SMILES c1c(ccc(c1O)[C@](COC(=O)[C@H](CC)C)(O)COC(=O)C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula macrophylla Ref.
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