CHEBI:202548 - Rhinocladin 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 Rhinocladin B
ChEBI ID CHEBI:202548
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ChemicalBook:CB3169304, eMolecules:530368, ZINC000001530303
Download Molfile XML SDF
Formula C22H29N3O2
Net Charge 0
Average Mass 367.493
Monoisotopic Mass 367.22598
InChI InChI=1S/C22H29N3O2/c1-13(2)5-6-15-7-8-18-17(10-15)16(12-23-18)11-20-22(27)24-19(9-14(3)4)21(26)25-20/h5,7-8,10,12,14,19-20,23H,6,9,11H2,1-4H3,(H,24,27)(H,25,26)/t19-,20-/m0/s1
InChIKey OPJDHMQJVPIBCH-PMACEKPBSA-N
SMILES O=C1N[C@H](C(=O)N[C@H]1CC=2C3=C(C=CC(=C3)CC=C(C)C)NC2)CC(C)C
Metabolite of Species Details
Rhinocladiellaspecies lgt-3 (NCBI:txid1495477) See: PubMed
ChEBI Ontology
Outgoing Rhinocladin B (CHEBI:202548) is a indoles (CHEBI:24828)
IUPAC Name
(3S,6S)-3-[[5-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-6-(2-methylpropyl)piperazine-2,5-dione
Manual Xref Database
78440893 ChemSpider
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