Urauchimycin B (CHEBI:213301)

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CHEBI:213301 - Urauchimycin B

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ChEBI ID	CHEBI:213301
ChEBI Name	Urauchimycin B
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Submitter	MetaboLights
Downloads	Molfile

Formula	C22H30N2O8
Net Charge	0
Average Mass	450.488
Monoisotopic Mass	450.20022
SMILES	CC(C)CCC1C(=O)OC(C)C(NC(=O)c2cccc(NC=O)c2O)C(=O)OC(C)C1O
InChI	InChI=1S/C22H30N2O8/c1-11(2)8-9-15-18(26)13(4)32-22(30)17(12(3)31-21(15)29)24-20(28)14-6-5-7-16(19(14)27)23-10-25/h5-7,10-13,15,17-18,26-27H,8-9H2,1-4H3,(H,23,25)(H,24,28)
InChIKey	KJGZFCSJCWHCFC-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (8468237)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Urauchimycin B (CHEBI:213301) is a amidobenzoic acid (CHEBI:48470)

IUPAC Name
3-ormamido-2-hydroxy-N-[7-hydroxy-2,6-dimethyl-8-(3-methylbutyl)-4,9-dioxo-1,5-dioxonan-3-yl]benzamide

Manual Xrefs	Databases
117217	ChemSpider