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CHEBI:202049 - Chrysamide A

ChEBI IDCHEBI:202049
ChEBI NameChrysamide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H26N4O9
Net Charge0
Average Mass538.513
Monoisotopic Mass538.16998
SMILESC[C@@H]1[C@H]2O[C@H]([C@@H](C)N2C(=O)[C@@]2(C)O[C@@H]2c2ccc([N+](=O)[O-])cc2)N1C(=O)[C@@]1(C)O[C@@H]1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C26H26N4O9/c1-13-21-28(24(32)26(4)20(39-26)16-7-11-18(12-8-16)30(35)36)14(2)22(37-21)27(13)23(31)25(3)19(38-25)15-5-9-17(10-6-15)29(33)34/h5-14,19-22H,1-4H3/t13-,14-,19-,20-,21-,22-,25+,26+/m1/s1
InChIKeySVFCQQXAVRBPAJ-TVSFNPFMSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (27440074)
ChEBI Ontology
Outgoing Relation(s)
Chrysamide A (CHEBI:202049) is a C-nitro compound (CHEBI:35716)
IUPAC Name 
[(1R,3R,4R,6R)-3,6-dimethyl-5-[(2S,3R)-2-methyl-3-(4-nitrophenyl)oxirane-2-carbonyl]-7-oxa-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[(2S,3R)-2-methyl-3-(4-nitrophenyl)oxiran-2-yl]methanone
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58197099ChemSpider