Nostoclide I (CHEBI:188781)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Nostoclide I

ChEBI ID	CHEBI:188781

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H18Cl2O3

Net Charge

Average Mass

389.270

Monoisotopic Mass

388.06330

InChI

InChI=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-

InChIKey

OLAZDNWZIHSQMW-WQRHYEAKSA-N

SMILES

ClC1=CC(/C=C/2\OC(=O)C(=C2C(C)C)CC3=CC=CC=C3)=CC(Cl)=C1O

Metabolite of Species	Details
Phyllostachys violascens (NCBI:txid1903417)	Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study

ChEBI Ontology
Outgoing	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