CHEBI:183729 - methyl isoquinoline-3-carboxylate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name methyl isoquinoline-3-carboxylate
ChEBI ID CHEBI:183729
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H9NO2
Net Charge 0
Average Mass 187.198
Monoisotopic Mass 187.06333
InChI InChI=1S/C11H9NO2/c1-14-11(13)10-6-8-4-2-3-5-9(8)7-12-10/h2-7H,1H3
InChIKey ZBCGBIZQNMVMPC-UHFFFAOYSA-N
SMILES O(C(=O)C=1N=CC=2C(C1)=CC=CC2)C
Metabolite of Species Details
Bombus terrestris (NCBI:txid30195) Found in hemolymph (BTO:0000572). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195) Found in brain (BTO:0000142). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195) Found in hindgut (BTO:0000510). See: MetaboLights Study
ChEBI Ontology
Outgoing methyl isoquinoline-3-carboxylate (CHEBI:183729) is a isoquinolines (CHEBI:24922)
IUPAC Name
methyl isoquinoline-3-carboxylate
Manual Xref Database
633378 ChemSpider
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