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CHEBI:208048 - 9-deoxy-PF1233 B

ChEBI IDCHEBI:208048
ChEBI Name9-deoxy-PF1233 B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26N2O4
Net Charge0
Average Mass418.493
Monoisotopic Mass418.18926
SMILESC=CC(C)(C)[C@]12Nc3ccccc3[C@@]1(O)C[C@H]1C(=O)O[C@@H](Cc3ccccc3)C(=O)N12
InChIInChI=1S/C25H26N2O4/c1-4-23(2,3)25-24(30,17-12-8-9-13-18(17)26-25)15-19-22(29)31-20(21(28)27(19)25)14-16-10-6-5-7-11-16/h4-13,19-20,26,30H,1,14-15H2,2-3H3/t19-,20-,24-,25+/m0/s1
InChIKeyGBMUTTKBDFEONI-OTLGMJNYSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies MEXU 27854 (ncbitaxon:2801328) - PubMed (28796494)
ChEBI Ontology
Outgoing Relation(s)
9-deoxy-PF1233 B (CHEBI:208048) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
(1R,4S,7S,9S)-4-benzyl-9-hydroxy-1-(2-methylbut-3-en-2-yl)-5-oxa-2,16-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
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