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Concept information

organooxygen compound > polyketide > macrolide > dihydroniphimycin

Preferred term

dihydroniphimycin  

Type

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

Broader concept

charge

  • 0

formula

  • C59H105N3O18

inchi

  • InChI=1S/C59H105N3O18/c1-34(19-15-12-10-11-13-18-26-62-58(60)61-9)27-37(4)51-21-17-14-16-20-45(64)38(5)48(67)29-42(63)28-43(78-53(72)32-52(70)71)30-44-31-49(68)56(75)59(77,80-44)33-50(69)35(2)22-24-46(65)39(6)55(74)41(8)54(73)36(3)23-25-47(66)40(7)57(76)79-51/h10-11,14,16-17,20,34-51,54-56,63-69,73-75,77H,12-13,15,18-19,21-33H2,1-9H3,(H,70,71)(H3,60,61,62)/b11-10+,17-14-,20-16-

inchikey

  • QJBZWXDRESIVAD-XTHAQYFTSA-N

mass

  • 1144.492

monoisotopicmass

  • 1143.73931

smiles

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

subset

  • 2_STAR

synonym EXACT

  • 3-oxo-3-[[(10Z,12Z)-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,18,22,24,26,30-hexamethyl-15-[(E)-4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12-dien-3-yl]oxy]propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202804

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