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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

maridomycin iii  

Type

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

Broader concept

charge

  • 0

formula

  • C41H67NO16

inchi

  • InChI=1S/C41H67NO16/c1-11-30(45)55-29-19-32(47)51-22(4)18-28-27(54-28)14-13-26(44)21(3)17-25(15-16-43)37(38(29)50-10)58-40-35(48)34(42(8)9)36(23(5)53-40)57-33-20-41(7,49)39(24(6)52-33)56-31(46)12-2/h13-14,16,21-29,33-40,44,48-49H,11-12,15,17-20H2,1-10H3/b14-13+

inchikey

  • FFXJTOKFQATYBI-BUHFOSPRSA-N

mass

  • 829.978

monoisotopicmass

  • 829.44599

smiles

  • O=C1OC(CC2OC2C=CC(O)C(CC(C(C(C(C1)OC(=O)CC)OC)OC3OC(C(OC4OC(C(OC(=O)CC)C(C4)(O)C)C)C(C3O)N(C)C)C)CC=O)C)C

subset

  • 2_STAR

synonym EXACT

  • [(14E)-9-[4-(dimethylamino)-3-hydroxy-5-(4-hydroxy-4,6-dimethyl-5-propanoyloxyoxan-2-yl)oxy-6-methyloxan-2-yl]oxy-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl] propanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199344

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