Astalluminoxide (CHEBI:216779)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216779 - Astalluminoxide

Take structure to advanced search

ChEBI ID	CHEBI:216779
ChEBI Name	Astalluminoxide
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	Al.3C20H22N3O3
Net Charge	0
Average Mass	1084.224
Monoisotopic Mass	1083.47989
SMILES	COc1nc(C)c(=O)n([O-])c1Cc1cnc2c(CC=C(C)C)cccc12.COc1nc(C)c(=O)n([O-])c1Cc1cnc2c(CC=C(C)C)cccc12.COc1nc(C)c(=O)n([O-])c1Cc1cnc2c(CC=C(C)C)cccc12.[Al+3]
InChI	InChI=1S/3C20H22N3O3.Al/c31-12(2)8-9-14-6-5-7-16-15(11-21-18(14)16)10-17-19(26-4)22-13(3)20(24)23(17)25;/h35-8,11,21H,9-10H2,1-4H3;/q3*-1;+3
InChIKey	AWEFAJQEGHQGEL-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	DOI (10.1016/j.tet.2020.131496)

ChEBI Ontology

Outgoing Relation(s)
	Astalluminoxide (CHEBI:216779) is a indoles (CHEBI:24828)

IUPAC Name
aluminum;5-methoxy-3-methyl-6-[[7-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-1-oxidopyrazin-2-one

Manual Xrefs	Databases
101935343	ChemSpider