CHEBI:220671 - Brasiliamide I

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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 Brasiliamide I
ChEBI ID CHEBI:220671
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H28N2O4
Net Charge 0
Average Mass 384.476
Monoisotopic Mass 384.20491
InChI InChI=1S/C22H28N2O4/c1-15(25)24-14-18(23-13-19(24)10-16-7-5-4-6-8-16)9-17-11-20(27-2)22(26)21(12-17)28-3/h4-8,11-12,18-19,23,26H,9-10,13-14H2,1-3H3/t18-,19-/m0/s1
InChIKey PZFQCYWITYPTOJ-OALUTQOASA-N
SMILES O=C(N1[C@H](CN[C@H](C1)CC2=CC(OC)=C(O)C(=C2)OC)CC3=CC=CC=C3)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Brasiliamide I (CHEBI:220671) is a methoxybenzenes (CHEBI:51683)
Brasiliamide I (CHEBI:220671) is a phenols (CHEBI:33853)
IUPAC Name
1-[(2S,5S)-2-benzyl-5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone
Manual Xref Database
114779804 ChemSpider
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