Iso-isariin D (CHEBI:221112)

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CHEBI:221112 - Iso-isariin D

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ChEBI ID	CHEBI:221112
ChEBI Name	Iso-isariin D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H45N5O7
Net Charge	0
Average Mass	539.674
Monoisotopic Mass	539.33190
SMILES	CC[C@H](C)[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/c1-9-15(6)19-11-20(32)27-12-21(33)31-22(14(4)5)25(36)30-18(10-13(2)3)24(35)28-16(7)23(34)29-17(8)26(37)38-19/h13-19,22H,9-12H2,1-8H3,(H,27,32)(H,28,35)(H,29,34)(H,30,36)(H,31,33)/t15-,16-,17-,18+,19-,22-/m0/s1
InChIKey	DTTRSLGOOVOLNB-BTWKCTJFSA-N

Species of Metabolite	Component	Source	Comments
Beauveria (ncbitaxon:5581)	-	PubMed (24828289)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Iso-isariin D (CHEBI:221112) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3S,6S,9R,12S,19S)-19-[(2S)-butan-2-yl]-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
32675075	ChemSpider