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CHEBI:227596 - Pelianthinarubin B

ChEBI IDCHEBI:227596
ChEBI NamePelianthinarubin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26N5O7
Net Charge+1
Average Mass484.489
Monoisotopic Mass484.18267
SMILESC[N+](C)(C)[C@H](C(=O)O)[C@H](O)c1cn([C@@H]2CCN3C4=C2C(=O)C(=O)c2ncc(c24)C[C@H]3C(=O)O)cn1
InChIInChI=1S/C23H25N5O7/c1-28(2,3)18(23(34)35)19(29)11-8-26(9-25-11)12-4-5-27-13(22(32)33)6-10-7-24-16-14(10)17(27)15(12)20(30)21(16)31/h7-9,12-13,18-19,29H,4-6H2,1-3H3,(H2-,24,30,31,32,33,34,35)/p+1/t12-,13+,18+,19-/m1/s1
InChIKeyMQCDIADYTDFLEF-MTZMYHNQSA-O
Species of MetaboliteComponentSourceComments
Mycena pelianthina (ncbitaxon:646160) - PubMed (27002340)
ChEBI Ontology
Outgoing Relation(s)
Pelianthinarubin B (CHEBI:227596) is a histidine derivative (CHEBI:24599)
IUPAC Name 
[(1S,2S)-1-carboxy-2-[1-[(3S,7R)-3-carboxy-9,10-dioxo-4,12-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),8(15),11(14)-trien-7-yl]imidazol-4-yl]-2-hydroxyethyl]-trimethylazanium
Manual XrefsDatabases
78443804ChemSpider