Beauverolide N (CHEBI:200090)

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CHEBI:200090 - Beauverolide N

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ChEBI ID	CHEBI:200090
ChEBI Name	Beauverolide N
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H41N3O6
Net Charge	0
Average Mass	503.640
Monoisotopic Mass	503.29954
SMILES	CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)O1
InChI	InChI=1S/C27H41N3O6/c1-6-7-8-17(4)23-15-24(32)29-21(14-19-9-11-20(31)12-10-19)26(34)28-18(5)25(33)30-22(13-16(2)3)27(35)36-23/h9-12,16-18,21-23,31H,6-8,13-15H2,1-5H3,(H,28,34)(H,29,32)(H,30,33)/t17-,18-,21-,22+,23-/m0/s1
InChIKey	NWKVHYRNFXGDJI-GZEZKRSXSA-N

Species of Metabolite	Component	Source	Comments
Beauveria (ncbitaxon:5581)	-	PubMed (11747104)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Beauverolide N (CHEBI:200090) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3R,6S,9S,13S)-13-[(2S)-hexan-2-yl]-9-[(4-hydroxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone

Manual Xrefs	Databases
78442499	ChemSpider