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CHEBI:204179 - Chrysamide B

ChEBI IDCHEBI:204179
ChEBI NameChrysamide B
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SubmitterMetaboLights
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FormulaC26H28N4O8
Net Charge0
Average Mass524.530
Monoisotopic Mass524.19071
SMILESC[C@@H]1CN(C(=O)[C@@]2(C)O[C@@H]2c2ccc([N+](=O)[O-])cc2)[C@H](C)CN1C(=O)[C@@]1(C)O[C@@H]1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C26H28N4O8/c1-15-13-28(24(32)26(4)22(38-26)18-7-11-20(12-8-18)30(35)36)16(2)14-27(15)23(31)25(3)21(37-25)17-5-9-19(10-6-17)29(33)34/h5-12,15-16,21-22H,13-14H2,1-4H3/t15-,16-,21-,22-,25+,26+/m1/s1
InChIKeyPNZUHMALUWDEMC-AENRNCCWSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (27440074)
ChEBI Ontology
Outgoing Relation(s)
Chrysamide B (CHEBI:204179) is a C-nitro compound (CHEBI:35716)
IUPAC Name 
[(2R,5R)-2,5-dimethyl-4-[(2S,3R)-2-methyl-3-(4-nitrophenyl)oxirane-2-carbonyl]piperazin-1-yl]-[(2S,3R)-2-methyl-3-(4-nitrophenyl)oxiran-2-yl]methanone
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58197100ChemSpider