Nostoclide II (CHEBI:209042)

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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 II

ChEBI ID	CHEBI:209042

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H19ClO3

Net Charge

Average Mass

354.830

Monoisotopic Mass

354.10227

InChI

InChI=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-

InChIKey

FJCMKDBQNWQPBT-UNOMPAQXSA-N

SMILES

ClC1=C(O)C=CC(=C1)/C=C/2\OC(=O)C(=C2C(C)C)CC3=CC=CC=C3

Metabolite of Species	Details
Nostocspecies (NCBI:txid1180)	See: DOI

ChEBI Ontology
Outgoing	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