Isariin B (CHEBI:223411)

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CHEBI:223411 - Isariin B

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ChEBI ID	CHEBI:223411
ChEBI Name	Isariin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H53N5O7
Net Charge	0
Average Mass	595.782
Monoisotopic Mass	595.39450
SMILES	CCCCCC[C@H]1CC(=O)NCC(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)O1
InChI	InChI=1S/C30H53N5O7/c1-9-10-11-12-13-21-15-23(36)31-16-24(37)34-25(18(4)5)29(40)33-22(14-17(2)3)28(39)32-20(8)27(38)35-26(19(6)7)30(41)42-21/h17-22,25-26H,9-16H2,1-8H3,(H,31,36)(H,32,39)(H,33,40)(H,34,37)(H,35,38)/t20-,21-,22+,25+,26+/m0/s1
InChIKey	QWBKHPNGPXORRV-WQVMVKNYSA-N

Species of Metabolite	Component	Source	Comments
Beauveria felina (ncbitaxon:37994)	-	PubMed (7198112)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Isariin B (CHEBI:223411) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3R,6S,9R,12R,19S)-19-hexyl-6-methyl-9-(2-methylpropyl)-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone

Manual Xrefs	Databases
78443089	ChemSpider