Cladosin K (CHEBI:209972)

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CHEBI:209972 - Cladosin K

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ChEBI ID	CHEBI:209972
ChEBI Name	Cladosin K
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H29N3O3
Net Charge	0
Average Mass	419.525
Monoisotopic Mass	419.22089
SMILES	CC(C)=C1NC(=O)C(C(C[C@H](C[C@H](C)O)Nc2ccccc2)=Nc2ccccc2)=C1O
InChI	InChI=1S/C25H29N3O3/c1-16(2)23-24(30)22(25(31)28-23)21(27-19-12-8-5-9-13-19)15-20(14-17(3)29)26-18-10-6-4-7-11-18/h4-13,17,20,26,29-30H,14-15H2,1-3H3,(H,28,31)/t17-,20-/m0/s1
InChIKey	LQVVUVSMCUMJAP-PXNSSMCTSA-N

Species of Metabolite	Component	Source	Comments
Cladosporium (ncbitaxon:5498)	-	PubMed (29985604)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Cladosin K (CHEBI:209972) is a aralkylamine (CHEBI:18000)

IUPAC Name
3-[C-[(2R,4S)-2-anilino-4-hydroxypentyl]-N-phenylcarbonimidoyl]-4-hydroxy-5-propan-2-ylidenepyrrol-2-one