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CHEBI:31922 - Novclobiocin 105

ChEBI IDCHEBI:31922
ChEBI NameNovclobiocin 105
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC28H30ClNO10
Net Charge0
Average Mass575.998
Monoisotopic Mass575.15582
SMILESCC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O[C@@H]4OC(C)(C)[C@H](O)[C@@H](O)[C@H]4O)c(Cl)c3oc2=O)ccc1O
InChIInChI=1S/C28H30ClNO10/c1-12(2)5-6-13-11-14(7-9-16(13)31)25(36)30-19-20(32)15-8-10-17(18(29)23(15)39-26(19)37)38-27-22(34)21(33)24(35)28(3,4)40-27/h5,7-11,21-22,24,27,31-35H,6H2,1-4H3,(H,30,36)/t21-,22+,24+,27+/m0/s1
InChIKeyPVBGAGFRLSUWAK-CXTNQITHSA-N
ChEBI Ontology
Outgoing Relation(s)
Novclobiocin 105 (CHEBI:31922) is a coumarins (CHEBI:23403)
Novclobiocin 105 (CHEBI:31922) is a glycoside (CHEBI:24400)
Synonym  Source
Novclobiocin 105KEGG COMPOUND
Manual XrefsDatabases
C12472KEGG COMPOUND