CHEBI:179177 - Salsolinol 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 Salsolinol 1-carboxylate
ChEBI ID CHEBI:179177
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H13NO4
Net Charge 0
Average Mass 223.228
Monoisotopic Mass 223.08446
InChI InChI=1S/C11H13NO4/c1-11(10(15)16)7-5-9(14)8(13)4-6(7)2-3-12-11/h4-5,12-14H,2-3H2,1H3,(H,15,16)/t11-/m0/s1
InChIKey XHGLVMDBZZZXDP-NSHDSACASA-N
SMILES OC(=O)[C@]1(NCCC=2C1=CC(O)=C(O)C2)C
ChEBI Ontology
Outgoing Salsolinol 1-carboxylate (CHEBI:179177) is a isoquinolines (CHEBI:24922)
IUPAC Name
(1S)-6,7-dihydroxy-1-methyl-3,4-dihydro-2H-isoquinoline-1-carboxylic acid
Manual Xrefs Databases
5412232 ChemSpider
HMDB0013068 HMDB
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