Carpatamide B (CHEBI:208829)

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CHEBI:208829 - Carpatamide B

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ChEBI ID	CHEBI:208829
ChEBI Name	Carpatamide B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H23NO5
Net Charge	0
Average Mass	333.384
Monoisotopic Mass	333.15762
SMILES	CC(C)C/C=C/C=C/C(=O)Nc1cc(CCC(=O)O)c(O)cc1O
InChI	InChI=1S/C18H23NO5/c1-12(2)6-4-3-5-7-17(22)19-14-10-13(8-9-18(23)24)15(20)11-16(14)21/h3-5,7,10-12,20-21H,6,8-9H2,1-2H3,(H,19,22)(H,23,24)/b4-3+,7-5+
InChIKey	PRIWSJNUTFFZAQ-BDWKERMESA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies (ncbitaxon:1931)	-	PubMed (24754815)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Carpatamide B (CHEBI:208829) is a benzenes (CHEBI:22712)
	Carpatamide B (CHEBI:208829) is a monocarboxylic acid (CHEBI:25384)

IUPAC Name
3-[2,4-dihydroxy-5-[[(2E,4E)-7-methylocta-2,4-dienoyl]amino]phenyl]propanoic acid

Manual Xrefs	Databases
32674928	ChemSpider