CHEBI:226105 - Rubrumazine B

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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 Rubrumazine B
ChEBI ID CHEBI:226105
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H31N3O4
Net Charge 0
Average Mass 425.529
Monoisotopic Mass 425.23146
InChI InChI=1S/C24H31N3O4/c1-7-23(3,4)20-16(12-17-22(30)25-13(2)21(29)26-17)15-10-8-9-14(19(15)27-20)11-18(28)24(5,6)31/h7-10,12-13,18,27-28,31H,1,11H2,2-6H3,(H,25,30)(H,26,29)/b17-12-/t13-,18-/m0/s1
InChIKey BGZGVRPXCLBHLM-NRXXELKWSA-N
SMILES O=C/1N[C@H](C(=O)N\C1=C/C=2C3=C(C(=CC=C3)C[C@H](O)C(O)(C)C)NC2C(C=C)(C)C)C
Metabolite of Species Details
Eurotium (NCBI:txid28569) See: PubMed
ChEBI Ontology
Outgoing Rubrumazine B (CHEBI:226105) has functional parent α-amino acid (CHEBI:33704)
Rubrumazine B (CHEBI:226105) is a organonitrogen compound (CHEBI:35352)
Rubrumazine B (CHEBI:226105) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3Z,6S)-3-[[7-[(2S)-2,3-dihydroxy-3-methylbutyl]-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-6-methylpiperazine-2,5-dione
Manual Xref Database
35516924 ChemSpider
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