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Concept information

organooxygen compound > polyketide > macrolide > aromatized deshydroxy-c-1027 chromophore
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > aromatized deshydroxy-c-1027 chromophore
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > aromatized deshydroxy-c-1027 chromophore
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > aromatized deshydroxy-c-1027 chromophore
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > aromatized deshydroxy-c-1027 chromophore

Preferred term

aromatized deshydroxy-c-1027 chromophore  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C43H44ClN3O12

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

mass

  • 830.277

monoisotopicmass

  • 829.26135

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

subset

  • 2_STAR

synonym EXACT

  • Aromatized deshydroxy-C-1027 chromophore

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:2841

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