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CHEBI:31921 - Novclobiocin 104

ChEBI IDCHEBI:31921
ChEBI NameNovclobiocin 104
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC29H32ClNO10
Net Charge0
Average Mass590.025
Monoisotopic Mass589.17147
SMILESCO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C
InChIInChI=1S/C29H32ClNO10/c1-13(2)6-7-14-12-15(8-10-17(14)32)26(36)31-20-21(33)16-9-11-18(19(30)24(16)40-27(20)37)39-28-23(35)22(34)25(38-5)29(3,4)41-28/h6,8-12,22-23,25,28,32-35H,7H2,1-5H3,(H,31,36)/t22-,23+,25+,28+/m0/s1
InChIKeyFLWNVTUDIWPFJL-ZJTSJXPUSA-N
ChEBI Ontology
Outgoing Relation(s)
Novclobiocin 104 (CHEBI:31921) is a coumarins (CHEBI:23403)
Novclobiocin 104 (CHEBI:31921) is a glycoside (CHEBI:24400)
Synonym  Source
Novclobiocin 104KEGG COMPOUND
Manual XrefsDatabases
C12473KEGG COMPOUND