CHEBI:2841 - Aromatized deshydroxy-C-1027 chromophore

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ChEBI Name Aromatized deshydroxy-C-1027 chromophore
ChEBI ID CHEBI:2841
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C43H44ClN3O12
Net Charge 0
Average Mass 830.277
Monoisotopic Mass 829.26135
InChI InChI=1S/C43H44ClN3O12/c1-20-39(51)46-34-26(16-23(53-6)17-31(34)55-20)40(52)57-32-19-54-33(48)18-29(45)21-10-12-30(28(44)15-21)56-38-24-11-9-22(32)14-25(24)27-8-7-13-43(27,38)59-41-36(50)35(49)37(47(4)5)42(2,3)58-41/h7-17,29,32,35-38,41,49-50H,1,18-19,45H2,2-6H3,(H,46,51)/t29-,32-,35?,36?,37?,38+,41?,43+/m0/s1
InChIKey BOJUNPZGRNCNTI-JJYLQHECSA-N
SMILES COc1cc2OC(=C)C(=O)Nc2c(c1)C(=O)O[C@H]1COC(=O)C[C@H](N)c2ccc(O[C@@H]3c4ccc1cc4C1=CC=C[C@]31OC1OC(C)(C)C(C(O)C1O)N(C)C)c(Cl)c2
ChEBI Ontology
Outgoing Aromatized deshydroxy-C-1027 chromophore (CHEBI:2841) is a macrolide (CHEBI:25106)
Synonym Source
Aromatized deshydroxy-C-1027 chromophore KEGG COMPOUND
Manual Xref Database
C11443 KEGG COMPOUND
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Last Modified
28 July 2014