Iso-isariin B (CHEBI:208106)

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CHEBI:208106 - Iso-isariin B

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ChEBI ID	CHEBI:208106
ChEBI Name	Iso-isariin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H53N5O7
Net Charge	0
Average Mass	595.782
Monoisotopic Mass	595.39450
SMILES	CCCCC(C)C1CC(=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/c1-10-11-12-19(8)22-14-23(36)31-15-24(37)34-25(17(4)5)29(40)33-21(13-16(2)3)28(39)32-20(9)27(38)35-26(18(6)7)30(41)42-22/h16-22,25-26H,10-15H2,1-9H3,(H,31,36)(H,32,39)(H,33,40)(H,34,37)(H,35,38)/t19?,20-,21+,22?,25-,26-/m0/s1
InChIKey	DSWZWPQYGALTJZ-WVHJPHLBSA-N

Species of Metabolite	Component	Source	Comments
Beauveria felina (ncbitaxon:37994)	-	PubMed (21438588)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Iso-isariin B (CHEBI:208106) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3S,6S,9R,12S)-19-hexan-2-yl-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
32674942	ChemSpider