Ochralate A (CHEBI:218612)

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CHEBI:218612 - Ochralate A

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ChEBI ID	CHEBI:218612
ChEBI Name	Ochralate A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C39H63AlN6O9
Net Charge	0
Average Mass	786.948
Monoisotopic Mass	786.44719
SMILES	COC(c1ncc(CC(C)C)n([O][Al]([O]n2c(CC(C)C)cnc(C(OC)C(C)C)c2=O)[O]n2c(CC(C)C)cnc(C(OC)C(C)C)c2=O)c1=O)C(C)C
InChI	InChI=1S/3C13H21N2O3.Al/c31-8(2)6-10-7-14-11(13(16)15(10)17)12(18-5)9(3)4;/h37-9,12H,6H2,1-5H3;/q3*-1;+3
InChIKey	NIOMLBSDKVTYNL-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	PubMed (28710560)

ChEBI Ontology

Outgoing Relation(s)
	Ochralate A (CHEBI:218612) is a pyrazines (CHEBI:38314)

IUPAC Name
1-bis[[3-(1-methoxy-2-methylpropyl)-6-(2-methylpropyl)-2-oxopyrazin-1-yl]oxy]alumanyloxy-3-(1-methoxy-2-methylpropyl)-6-(2-methylpropyl)pyrazin-2-one

Manual Xrefs	Databases
71048745	ChemSpider