Isariin C (CHEBI:223406)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:223406 - Isariin C

Take structure to advanced search

ChEBI ID	CHEBI:223406
ChEBI Name	Isariin C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H49N5O7
Net Charge	0
Average Mass	567.728
Monoisotopic Mass	567.36320
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(=O)O1
InChI	InChI=1S/C28H49N5O7/c1-8-9-10-11-12-20-14-22(34)29-15-23(35)33-24(17(4)5)27(38)32-21(13-16(2)3)26(37)30-18(6)25(36)31-19(7)28(39)40-20/h16-21,24H,8-15H2,1-7H3,(H,29,34)(H,30,37)(H,31,36)(H,32,38)(H,33,35)/t18-,19+,20+,21+,24+/m0/s1
InChIKey	YBUNWQZCPQUPOR-XFJGJFDASA-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 C (CHEBI:223406) is a cyclodepsipeptide (CHEBI:35213)

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

Manual Xrefs	Databases
78443088	ChemSpider