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CHEBI:210116 - Chrysosporazine E

ChEBI IDCHEBI:210116
ChEBI NameChrysosporazine E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H28N2O5
Net Charge0
Average Mass472.541
Monoisotopic Mass472.19982
SMILESCC(=O)N1C[C@H](Cc2cc(O)c3c(c2)OCO3)N(C(=O)c2ccccc2)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C28H28N2O5/c1-19(31)29-16-24(13-21-14-25(32)27-26(15-21)34-18-35-27)30(28(33)22-10-6-3-7-11-22)17-23(29)12-20-8-4-2-5-9-20/h2-11,14-15,23-24,32H,12-13,16-18H2,1H3/t23-,24-/m0/s1
InChIKeyJDHFJTGFKAYMMX-ZEQRLZLVSA-N
Species of MetaboliteComponentSourceComments
Chrysosporium (ncbitaxon:40411) - PubMed (31544463)
ChEBI Ontology
Outgoing Relation(s)
Chrysosporazine E (CHEBI:210116) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
1-[(2S,5S)-4-benzoyl-2-benzyl-5-[(7-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethanone
Manual XrefsDatabases
77421570ChemSpider