Benwamycin E (CHEBI:225657)

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CHEBI:225657 - Benwamycin E

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ChEBI ID	CHEBI:225657
ChEBI Name	Benwamycin E
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H22O4
Net Charge	0
Average Mass	290.359
Monoisotopic Mass	290.15181
SMILES	CC(=O)[C@@H](C)[C@H](O)[C@@H](C)c1ccc(C)cc1/C=C/C(=O)O
InChI	InChI=1S/C17H22O4/c1-10-5-7-15(14(9-10)6-8-16(19)20)12(3)17(21)11(2)13(4)18/h5-9,11-12,17,21H,1-4H3,(H,19,20)/b8-6+/t11-,12+,17+/m1/s1
InChIKey	CYBWDGOHPIQERY-DTURAIEASA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (31904958)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Benwamycin E (CHEBI:225657) is a cinnamic acids (CHEBI:23252)

IUPAC Name
(E)-3-[2-[(2S,3R,4S)-3-hydroxy-4-methyl-5-oxohexan-2-yl]-5-methylphenyl]prop-2-enoic acid