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Concept information

Preferred term

مدوسامید A  

Type

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

charge

  • 0

formula

  • C44H79N5O9

inchi

  • InChI=1S/C44H79N5O9/c1-15-19-31-28(12)39(51)47-33(21-17-3)30(14)41(53)49-36(25(7)8)43(55)58-37(26(9)10)44(56)57-35(23-24(5)6)42(54)48-34(22-18-4)29(13)40(52)46-32(20-16-2)27(11)38(50)45-31/h24-37H,15-23H2,1-14H3,(H,45,50)(H,46,52)(H,47,51)(H,48,54)(H,49,53)/t27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37+/m1/s1

inchikey

  • ZGUPGLAEKHCUSL-WLHCDTGTSA-N

mass

  • 822.142

monoisotopicmass

  • 821.58778

smiles

  • O=C1O[C@@H](C(=O)N[C@@H]([C@H](C(=O)N[C@@H]([C@H](C(=O)N[C@@H]([C@H](C(N[C@@H]([C@H](C(N[C@@H](C(O[C@H]1C(C)C)=O)C(C)C)=O)C)CCC)=O)C)CCC)C)CCC)C)CCC)CC(C)C

subset

  • 2_STAR

synonym EXACT

  • (3S,6R,9R,10R,13R,14R,17R,18R,21R,22R,25R)-9,13,17,21-tetramethyl-25-(2-methylpropyl)-3,6-di(propan-2-yl)-10,14,18,22-tetrapropyl-1,4-dioxa-7,11,15,19,23-pentazacyclopentacosane-2,5,8,12,16,20,24-heptone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216195

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