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CHEBI:203114 - Cyclomarazine B

ChEBI IDCHEBI:203114
ChEBI NameCyclomarazine B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H29N3O3
Net Charge0
Average Mass383.492
Monoisotopic Mass383.22089
SMILESC=CC(C)(C)n1cc(C[C@@H]2NC(=O)[C@H](C[C@@H](C)CO)NC2=O)c2ccccc21
InChIInChI=1S/C22H29N3O3/c1-5-22(3,4)25-12-15(16-8-6-7-9-19(16)25)11-18-21(28)23-17(20(27)24-18)10-14(2)13-26/h5-9,12,14,17-18,26H,1,10-11,13H2,2-4H3,(H,23,28)(H,24,27)/t14-,17+,18+/m1/s1
InChIKeyRDOMJBDZWXNXPA-JLSDUUJJSA-N
Species of MetaboliteComponentSourceComments
Salinispora arenicola CNS-205 (ncbitaxon:391037) - PubMed (18331040)
ChEBI Ontology
Outgoing Relation(s)
Cyclomarazine B (CHEBI:203114) has functional parent α-amino acid (CHEBI:33704)
Cyclomarazine B (CHEBI:203114) is a organonitrogen compound (CHEBI:35352)
Cyclomarazine B (CHEBI:203114) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6S)-3-[(2R)-3-hydroxy-2-methylpropyl]-6-[[1-(2-methylbut-3-en-2-yl)indol-3-yl]methyl]piperazine-2,5-dione
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24604836ChemSpider