CHEBI:31922 - Novclobiocin 105

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Novclobiocin 105
ChEBI ID CHEBI:31922
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C28H30ClNO10
Net Charge 0
Average Mass 575.993
Monoisotopic Mass 575.15582
InChI InChI=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
InChIKey PVBGAGFRLSUWAK-CXTNQITHSA-N
SMILES CC(C)=CCc1cc(ccc1O)C(=O)Nc1c(O)c2ccc(O[C@@H]3OC(C)(C)[C@H](O)[C@@H](O)[C@H]3O)c(Cl)c2oc1=O
ChEBI Ontology
Outgoing Novclobiocin 105 (CHEBI:31922) is a coumarins (CHEBI:23403)
Novclobiocin 105 (CHEBI:31922) is a glycoside (CHEBI:24400)
Synonym Source
Novclobiocin 105 KEGG COMPOUND
Manual Xref Database
C12472 KEGG COMPOUND
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Last Modified
28 July 2014