CHEBI:216779 - Astalluminoxide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Astalluminoxide
ChEBI ID CHEBI:216779
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H22N3O3.C20H22N3O3.C20H22N3O3.Al
Net Charge 0
Average Mass 1084.224
Monoisotopic Mass 1083.47989
InChI InChI=1S/3C20H22N3O3.Al/c3*1-12(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;/h3*5-8,11,21H,9-10H2,1-4H3;/q3*-1;+3
InChIKey AWEFAJQEGHQGEL-UHFFFAOYSA-N
SMILES [Al+3].O=C1N([O-])C(=C(OC)N=C1C)CC=2C3=C(C(=CC=C3)CC=C(C)C)NC2.O=C1N([O-])C(=C(OC)N=C1C)CC=2C3=C(C(=CC=C3)CC=C(C)C)NC2.O=C1N([O-])C(=C(OC)N=C1C)CC=2C3=C(C(=CC=C3)CC=C(C)C)NC2
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
101935343 ChemSpider
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