CHEBI:86529 - 1,2,3-trimethoxybenzene

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ChEBI Name 1,2,3-trimethoxybenzene
ChEBI ID CHEBI:86529
Definition A methoxybenzene that is benzene substituted by methoxy groups at positions 1, 2 and 3 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H12O3
Net Charge 0
Average Mass 168.18980
Monoisotopic Mass 168.07864
InChI InChI=1S/C9H12O3/c1-10-7-5-4-6-8(11-2)9(7)12-3/h4-6H,1-3H3
InChIKey CRUILBNAQILVHZ-UHFFFAOYSA-N
SMILES COc1cccc(OC)c1OC
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 1,2,3-trimethoxybenzene (CHEBI:86529) has role plant metabolite (CHEBI:76924)
1,2,3-trimethoxybenzene (CHEBI:86529) is a methoxybenzenes (CHEBI:51683)
IUPAC Name
1,2,3-trimethoxybenzene
Synonyms Sources
methylsyringol ChemIDplus
pyrogallol trimethyl ether ChEBI
tri-O-methylpyrogallol ChemIDplus
Manual Xref Database
C00042023 KNApSAcK
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Registry Numbers Types Sources
1910422 Reaxys Registry Number Reaxys
634-36-6 CAS Registry Number NIST Chemistry WebBook
634-36-6 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
16646448 PubMed citation Europe PMC
Last Modified
17 July 2015