CHEBI:212959 - Verrucine A

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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 Verrucine A
ChEBI ID CHEBI:212959
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H20N4O3
Net Charge 0
Average Mass 376.416
Monoisotopic Mass 376.15354
InChI InChI=1S/C21H20N4O3/c22-18(26)11-10-17-20(27)24-16(12-13-6-2-1-3-7-13)19-23-15-9-5-4-8-14(15)21(28)25(17)19/h1-9,16-17H,10-12H2,(H2,22,26)(H,24,27)/t16-,17-/m0/s1
InChIKey LISCNUCDEMJKLE-IRXDYDNUSA-N
SMILES O=C1N2C(=NC3=C1C=CC=C3)[C@@H](NC([C@@H]2CCC(=O)N)=O)CC4=CC=CC=C4
Metabolite of Species Details
Penicillium verrucosum (NCBI:txid60171) See: PubMed
ChEBI Ontology
Outgoing Verrucine A (CHEBI:212959) is a quinazolines (CHEBI:38530)
IUPAC Name
3-[(1S,4S)-1-benzyl-3,6-dioxo-2,4-dihydro-1H-pyrazino[2,1-b]quinazolin-4-yl]propanamide
Manual Xref Database
8984833 ChemSpider
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