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CHEBI:209042 - Nostoclide II

ChEBI IDCHEBI:209042
ChEBI NameNostoclide II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H19ClO3
Net Charge0
Average Mass354.833
Monoisotopic Mass354.10227
SMILESCC(C)C1=C(Cc2ccccc2)C(=O)O/C1=C\c1ccc(O)c(Cl)c1
InChIInChI=1S/C21H19ClO3/c1-13(2)20-16(10-14-6-4-3-5-7-14)21(24)25-19(20)12-15-8-9-18(23)17(22)11-15/h3-9,11-13,23H,10H2,1-2H3/b19-12-
InChIKeyFJCMKDBQNWQPBT-UNOMPAQXSA-N
Species of MetaboliteComponentSourceComments
Nostocspecies (ncbitaxon:1180) - DOI (10.1016/0040-4039(93)89005-b)
ChEBI Ontology
Outgoing Relation(s)
Nostoclide II (CHEBI:209042) is a monochlorophenol (CHEBI:38857)
IUPAC Name 
(5Z)-3-benzyl-5-[(3-chloro-4-hydroxyphenyl)methylidene]-4-propan-2-yluran-2-one
Manual XrefsDatabases
4578936ChemSpider