EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:91541 - LSM-1330

ChEBI IDCHEBI:91541
ChEBI NameLSM-1330
Stars
DownloadsMolfile
FormulaC17H21NO4
Net Charge0
Average Mass303.358
Monoisotopic Mass303.14706
SMILESCN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12
InChIInChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3
InChIKeySTECJAGHUSJQJN-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
LSM-1330 (CHEBI:91541) is a 3-hydroxy carboxylic acid (CHEBI:61355)
Manual XrefsDatabases
LSM-1330LINCS