Cylindrocarpyridone B (CHEBI:217889)

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CHEBI:217889 - Cylindrocarpyridone B

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ChEBI ID	CHEBI:217889
ChEBI Name	Cylindrocarpyridone B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C14H21NO5
Net Charge	0
Average Mass	283.324
Monoisotopic Mass	283.14197
SMILES	CC[C@H](CO)CCc1cc(=O)c(C(=O)O)cn1CCO
InChI	InChI=1S/C14H21NO5/c1-2-10(9-17)3-4-11-7-13(18)12(14(19)20)8-15(11)5-6-16/h7-8,10,16-17H,2-6,9H2,1H3,(H,19,20)/t10-/m0/s1
InChIKey	LKAZINBTZKNQAN-JTQLQIEISA-N

Species of Metabolite	Component	Source	Comments
Cylindrocarponspecies (ncbitaxon:1756108)	-	PubMed (29778573)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Cylindrocarpyridone B (CHEBI:217889) is a aromatic carboxylic acid (CHEBI:33859)
	Cylindrocarpyridone B (CHEBI:217889) is a pyridines (CHEBI:26421)

IUPAC Name
1-(2-hydroxyethyl)-6-[3-(hydroxymethyl)pentyl]-4-oxopyridine-3-carboxylic acid