EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:188527 - Exo2

ChEBI IDCHEBI:188527
ChEBI NameExo2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18N4O2S
Net Charge0
Average Mass354.435
Monoisotopic Mass354.11505
SMILESCOc1cc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)ccc1O
InChIInChI=1S/C18H18N4O2S/c1-24-14-8-11(6-7-13(14)23)9-21-22-17-16-12-4-2-3-5-15(12)25-18(16)20-10-19-17/h6-10,23H,2-5H2,1H3,(H,19,20,22)/b21-9+
InChIKeyVFNUTEMVQGLDAG-ZVBGSRNCSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
Exo2 (CHEBI:188527) is a methoxybenzenes (CHEBI:51683)
Exo2 (CHEBI:188527) is a phenols (CHEBI:33853)
IUPAC Name 
2-methoxy-4-[(E)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]phenol
Manual XrefsDatabases
10840884ChemSpider