input word = C00052663

Metabolite InformationStructural formula
Name 3,4,5-Trimethylphenol
Formula C9H12O
Mw 136.08881501
CAS RN 527-54-8
C_ID C00052663
InChIKey FDQQNNZKEJIHMS-UHFFFAOYSA-N
InChICode InChI=1S/C9H12O/c1-6-4-9(10)5-7(2)8(6)3/h4-5,10H,1-3H3
SMILES Cc1cc(O)cc(C)c1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePinus sibirica Ref.
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OrganismPinus sibirica
ReferenceRogachev, A. D. et al., Chem. Biodiv., 12, (2015), 1-53.