CHEBI:175045 - Oblongine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Oblongine
ChEBI ID CHEBI:175045
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H24NO3
Net Charge +1
Average Mass 314.404
Monoisotopic Mass 314.17507
InChI InChI=1S/C19H23NO3/c1-20(2)11-10-14-6-9-17(23-3)19(22)18(14)16(20)12-13-4-7-15(21)8-5-13/h4-9,16H,10-12H2,1-3H3,(H-,21,22)/p+1
InChIKey POJZOQWVMMYVBU-UHFFFAOYSA-O
SMILES OC=1C=2C([N+](CCC2C=CC1OC)(C)C)CC3=CC=C(O)C=C3
ChEBI Ontology
Outgoing Oblongine (CHEBI:175045) is a isoquinolines (CHEBI:24922)
IUPAC Name
1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol
Manual Xrefs Databases
138294 ChemSpider
HMDB0040697 HMDB
View more database links