EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:232418 - 42O

Default Structure
ChEBI IDCHEBI:232418
ChEBI Name42O
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC22H19NO3S
Net Charge0
Average Mass377.465
Monoisotopic Mass377.10856
SMILES[H][C@@]1(C(=O)O)CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21
InChIInChI=1S/C22H19NO3S/c24-19-11-16(10-15-6-3-5-13-4-1-2-7-17(13)15)20(14-8-9-14)21-23(19)18(12-27-21)22(25)26/h1-7,11,14,18H,8-10,12H2,(H,25,26)/t18-/m0/s1
InChIKeyBMDMKWJIRFLEEY-SFHVURJKSA-N
ChEBI Ontology
Outgoing Relation(s)
42O (CHEBI:232418) is a organic molecular entity (CHEBI:50860)
Citations