Isariin D (CHEBI:223400)

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CHEBI:223400 - Isariin D

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ChEBI ID	CHEBI:223400
ChEBI Name	Isariin D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H45N5O7
Net Charge	0
Average Mass	539.674
Monoisotopic Mass	539.33190
SMILES	CCCC[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/C26H45N5O7/c1-8-9-10-18-12-20(32)27-13-21(33)31-22(15(4)5)25(36)30-19(11-14(2)3)24(35)28-16(6)23(34)29-17(7)26(37)38-18/h14-19,22H,8-13H2,1-7H3,(H,27,32)(H,28,35)(H,29,34)(H,30,36)(H,31,33)/t16-,17+,18+,19+,22+/m1/s1
InChIKey	OMCRYJIAXGEETJ-PEXPKUBFSA-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 D (CHEBI:223400) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3S,6R,9S,12S,19S)-19-butyl-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
78443087	ChemSpider