CHEBI:216566 - Dihydroneochinulin 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 Dihydroneochinulin B
ChEBI ID CHEBI:216566
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H21N3O2
Net Charge 0
Average Mass 323.396
Monoisotopic Mass 323.16338
InChI InChI=1S/C19H21N3O2/c1-5-19(3,4)16-13(12-8-6-7-9-14(12)21-16)10-15-18(24)20-11(2)17(23)22-15/h5-9,15,21H,1-2,10H2,3-4H3,(H,20,24)(H,22,23)/t15-/m0/s1
InChIKey KEETUKMQVSFVNW-HNNXBMFYSA-N
SMILES O=C1N[C@H](C(=O)NC1=C)CC=2C3=C(C=CC=C3)NC2C(C=C)(C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Dihydroneochinulin B (CHEBI:216566) is a indoles (CHEBI:24828)
IUPAC Name
(3S)-3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-6-methylidenepiperazine-2,5-dione
Manual Xref Database
30771002 ChemSpider
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