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CHEBI:208055 - 9-deoxy-PF1233 A

ChEBI IDCHEBI:208055
ChEBI Name9-deoxy-PF1233 A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28N2O5
Net Charge0
Average Mass460.530
Monoisotopic Mass460.19982
SMILESC=CC(C)(C)[C@]12Nc3ccccc3[C@@]1(OC(C)=O)C[C@H]1C(=O)O[C@@H](Cc3ccccc3)C(=O)N12
InChIInChI=1S/C27H28N2O5/c1-5-25(3,4)27-26(34-17(2)30,19-13-9-10-14-20(19)28-27)16-21-24(32)33-22(23(31)29(21)27)15-18-11-7-6-8-12-18/h5-14,21-22,28H,1,15-16H2,2-4H3/t21-,22-,26-,27+/m0/s1
InChIKeyORUUOHWWRMGNJL-RGXZNCPUSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies MEXU 27854 (ncbitaxon:2801328) - PubMed (28796494)
ChEBI Ontology
Outgoing Relation(s)
9-deoxy-PF1233 A (CHEBI:208055) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
[(1R,4S,7S,9S)-4-benzyl-1-(2-methylbut-3-en-2-yl)-3,6-dioxo-5-oxa-2,16-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl] acetate
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62233292ChemSpider