CHEBI:174215 - Salsoline-1-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 Salsoline-1-carboxylate
ChEBI ID CHEBI:174215
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H15NO4
Net Charge 0
Average Mass 237.255
Monoisotopic Mass 237.10011
InChI InChI=1S/C12H15NO4/c1-12(11(15)16)8-6-10(17-2)9(14)5-7(8)3-4-13-12/h5-6,13-14H,3-4H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKey CJEFWISJWQNPSZ-GFCCVEGCSA-N
SMILES OC(=O)[C@@]1(NCCC=2C1=CC(OC)=C(O)C2)C
ChEBI Ontology
Outgoing Salsoline-1-carboxylate (CHEBI:174215) is a isoquinolines (CHEBI:24922)
IUPAC Name
(1R)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-2H-isoquinoline-1-carboxylic acid
Manual Xrefs Databases
5367184 ChemSpider
HMDB0013067 HMDB
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