EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210946 - SCH 58450

ChEBI IDCHEBI:210946
ChEBI NameSCH 58450
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O5
Net Charge0
Average Mass338.359
Monoisotopic Mass338.11542
SMILESCOc1cccc2c1C1OC2C23OC12C=CC1=C3C(=O)CC(C)(O)C1
InChIInChI=1S/C20H18O5/c1-18(22)8-10-6-7-19-17-14-11(4-3-5-13(14)23-2)16(24-17)20(19,25-19)15(10)12(21)9-18/h3-7,16-17,22H,8-9H2,1-2H3
InChIKeyBOYWLALFDCIWJG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/0040-4039(95)01589-a)
ChEBI Ontology
Outgoing Relation(s)
SCH 58450 (CHEBI:210946) is a tetralins (CHEBI:36786)
IUPAC Name 
14-hydroxy-4-methoxy-14-methyl-19,20-dioxahexacyclo[8.8.1.12,9.01,10.03,8.011,16]icosa-3(8),4,6,11(16),17-pentaen-12-one
Manual XrefsDatabases
78444849ChemSpider