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CHEBI:4447 - Deshydroxy-C-1027 chromophore

ChEBI IDCHEBI:4447
ChEBI NameDeshydroxy-C-1027 chromophore
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC43H42ClN3O12
Net Charge0
Average Mass828.271
Monoisotopic Mass827.24570
SMILESC=C1Oc2cc(OC)cc(C(=O)O[C@H]3COC(=O)C[C@H](N)c4ccc(c(Cl)c4)O[C@@H]4C#C/C=C/3C#CC3=CC=C[C@@]34OC3OC(C)(C)C(N(C)C)C(O)C3O)c2NC1=O
InChIInChI=1S/C43H42ClN3O12/c1-22-39(51)46-35-27(18-26(53-6)19-31(35)55-22)40(52)57-32-21-54-34(48)20-29(45)24-13-15-30(28(44)17-24)56-33-11-7-9-23(32)12-14-25-10-8-16-43(25,33)59-41-37(50)36(49)38(47(4)5)42(2,3)58-41/h8-10,13,15-19,29,32-33,36-38,41,49-50H,1,20-21,45H2,2-6H3,(H,46,51)/b23-9+/t29-,32-,33+,36?,37?,38?,41?,43+/m0/s1
InChIKeyWNILXTVROMRWPH-YJESNTBUSA-N
ChEBI Ontology
Outgoing Relation(s)
Deshydroxy-C-1027 chromophore (CHEBI:4447) is a macrolide (CHEBI:25106)
Synonym  Source
Deshydroxy-C-1027 chromophoreKEGG COMPOUND
Manual XrefsDatabases
C11441KEGG COMPOUND