CHEBI:2840 - Aromatized C-1027 chromophore

ChEBI IDCHEBI:2840
ChEBI NameAromatized C-1027 chromophore
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC43H44ClN3O13
Net Charge0
Average Mass846.286
Monoisotopic Mass845.25627
SMILESC=C1Oc2cc(OC)cc(C(=O)O[C@H]3COC(=O)C[C@H](N)c4cc(O)c(c(Cl)c4)O[C@@H]4c5ccc3cc5C3=CC=C[C@@]34OC3OC(C)(C)C(N(C)C)C(O)C3O)c2NC1=O
InChIInChI=1S/C43H44ClN3O13/c1-19-39(52)46-33-25(15-22(54-6)16-30(33)56-19)40(53)57-31-18-55-32(49)17-28(45)21-13-27(44)36(29(48)14-21)58-38-23-10-9-20(31)12-24(23)26-8-7-11-43(26,38)60-41-35(51)34(50)37(47(4)5)42(2,3)59-41/h7-16,28,31,34-35,37-38,41,48,50-51H,1,17-18,45H2,2-6H3,(H,46,52)/t28-,31-,34?,35?,37?,38+,41?,43+/m0/s1
InChIKeySAWXMTQYIIZWNU-SLEFKVGVSA-N
ChEBI Ontology
Outgoing Relation(s)
Aromatized C-1027 chromophore (CHEBI:2840) is a macrolide (CHEBI:25106)
Synonym  Source
Aromatized C-1027 chromophoreKEGG COMPOUND
Manual XrefsDatabases
C11442KEGG COMPOUND
ROMPDBeChem