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CHEBI:225578 - Solitumidine B

ChEBI IDCHEBI:225578
ChEBI NameSolitumidine B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26N2O4
Net Charge0
Average Mass358.438
Monoisotopic Mass358.18926
SMILESC=CC(C)(C)c1nc2ccccc2c1CCNC(=O)CC[C@H](O)C(=O)O
InChIInChI=1S/C20H26N2O4/c1-4-20(2,3)18-14(13-7-5-6-8-15(13)22-18)11-12-21-17(24)10-9-16(23)19(25)26/h4-8,16,22-23H,1,9-12H2,2-3H3,(H,21,24)(H,25,26)/t16-/m0/s1
InChIKeyNXGGEMBPIKZQNL-INIZCTEOSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31895573)
ChEBI Ontology
Outgoing Relation(s)
Solitumidine B (CHEBI:225578) is a indoles (CHEBI:24828)
IUPAC Name 
(2S)-2-hydroxy-5-[2-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]ethylamino]-5-oxopentanoic acid
Manual XrefsDatabases
81367085ChemSpider