input word = C00052590

Metabolite InformationStructural formula
Name 2,3-Dimethylphenol
Formula C8H10O
Mw 122.07316494
CAS RN 526-75-0
C_ID C00052590
InChIKey QWBBPBRQALCEIZ-UHFFFAOYSA-N
InChICode InChI=1S/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3
SMILES OC1=C(C)C(C)=CC=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePinus sibirica Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValerianella locusta Ref.
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OrganismValerianella locusta
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 1, 1045D

1080D (ir)