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CHEBI:188781 - Nostoclide I

ChEBI IDCHEBI:188781
ChEBI NameNostoclide I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18Cl2O3
Net Charge0
Average Mass389.278
Monoisotopic Mass388.06330
SMILESCC(C)C1=C(Cc2ccccc2)C(=O)O/C1=C\c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C21H18Cl2O3/c1-12(2)19-15(8-13-6-4-3-5-7-13)21(25)26-18(19)11-14-9-16(22)20(24)17(23)10-14/h3-7,9-12,24H,8H2,1-2H3/b18-11-
InChIKeyOLAZDNWZIHSQMW-WQRHYEAKSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
Nostoclide I (CHEBI:188781) is a dichlorobenzene (CHEBI:23697)
IUPAC Name 
(5Z)-3-benzyl-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-4-propan-2-yluran-2-one
Manual XrefsDatabases
4578935ChemSpider