CHEBI:226836 - Quellenin

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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 Quellenin
ChEBI ID CHEBI:226836
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H21N3O3
Net Charge 0
Average Mass 363.417
Monoisotopic Mass 363.15829
InChI InChI=1S/C21H21N3O3/c1-24-19(10-13-6-8-15(25)9-7-13)20(26)23-18(21(24)27)11-14-12-22-17-5-3-2-4-16(14)17/h2-9,12,18-19,22,25H,10-11H2,1H3,(H,23,26)/t18-,19-/m0/s1
InChIKey QVUGVMYAQOTVMJ-OALUTQOASA-N
SMILES O=C1N([C@H](C(=O)N[C@H]1CC=2C3=C(C=CC=C3)NC2)CC4=CC=C(O)C=C4)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Quellenin (CHEBI:226836) has functional parent α-amino acid (CHEBI:33704)
Quellenin (CHEBI:226836) is a organonitrogen compound (CHEBI:35352)
Quellenin (CHEBI:226836) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3S,6S)-6-[(4-hydroxyphenyl)methyl]-3-(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
Manual Xref Database
71048387 ChemSpider
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