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CHEBI:220166 - Chrysosporazine J

ChEBI IDCHEBI:220166
ChEBI NameChrysosporazine J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H30N2O5
Net Charge0
Average Mass510.590
Monoisotopic Mass510.21547
SMILESCOc1c2c(cc3c1[C@H](c1ccccc1)[C@H]1C(=O)N4C[C@H](Cc5ccccc5)N(C(C)=O)C[C@@H]4[C@@H]31)OCO2
InChIInChI=1S/C31H30N2O5/c1-18(34)32-16-23-26-22-14-24-29(38-17-37-24)30(36-2)27(22)25(20-11-7-4-8-12-20)28(26)31(35)33(23)15-21(32)13-19-9-5-3-6-10-19/h3-12,14,21,23,25-26,28H,13,15-17H2,1-2H3/t21-,23+,25-,26+,28+/m0/s1
InChIKeyVTOITEGQWZFNRK-NCPBTPGXSA-N
Species of MetaboliteComponentSourceComments
Chrysosporiumspecies (ncbitaxon:40412) - PubMed (31975579)
ChEBI Ontology
Outgoing Relation(s)
Chrysosporazine J (CHEBI:220166) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
(2R,3S,6S,10R,11S)-5-acetyl-6-benzyl-13-methoxy-11-phenyl-15,17-dioxa-5,8-diazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(19),12,14(18)-trien-9-one
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81369490ChemSpider