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Concept information

organooxygen compound > polyketide > macrolide > azalomycin f4a 2-ethylpentyl ester
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > azalomycin f4a 2-ethylpentyl ester
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > azalomycin f4a 2-ethylpentyl ester
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > azalomycin f4a 2-ethylpentyl ester

Preferred term

azalomycin f4a 2-ethylpentyl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C63H109N3O17

inchi

  • InChI=1S/C63H109N3O17/c1-11-21-46(12-2)38-80-57(75)36-58(76)81-49-30-47(67)32-50-34-55(73)60(77)63(79,83-50)37-56(74)41(5)27-28-51(69)45(9)54(72)35-53(71)40(4)24-20-26-44(8)61(78)82-59(43(7)25-19-23-39(3)52(70)33-48(68)31-49)42(6)22-17-15-13-14-16-18-29-66-62(64)65-10/h13-14,19-20,23-26,40-43,45-56,59-60,67-74,77,79H,11-12,15-18,21-22,27-38H2,1-10H3,(H3,64,65,66)/b14-13+,24-20-,25-19-,39-23-,44-26-

inchikey

  • GHXGVGWREDOHFM-TTZJCZNXSA-N

mass

  • 1180.569

monoisotopicmass

  • 1179.77570

smiles

  • O=C1OC(C(C=CC=C(C(O)CC(O)CC(OC(=O)CC(=O)OCC(CCC)CC)CC(O)CC2OC(CC(C(CCC(C(C(CC(C(C=CC=C1C)C)O)O)C)O)C)O)(O)C(O)C(C2)O)C)C)C(CCC/C=C/CCCNC(=NC)N)C

subset

  • 2_STAR

synonym EXACT

  • 3-O-[(10Z,12Z,18Z,20Z)-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[(E)-10-[(N'-methylcarbamimidoyl)amino]dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl] 1-O-(2-ethylpentyl) propanedioate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203784

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