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Concept information

Preferred term

asperiamide c  

Type

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

Broader concept

charge

  • 0

formula

  • C45H83NO9

inchi

  • InChI=1S/C45H83NO9/c1-4-6-8-10-12-14-16-18-20-22-24-28-33-39(49)44(53)46-37(35-54-45-43(52)42(51)41(50)40(34-47)55-45)38(48)32-29-25-27-31-36(3)30-26-23-21-19-17-15-13-11-9-7-5-2/h28-29,31-33,37-43,45,47-52H,4-27,30,34-35H2,1-3H3,(H,46,53)/b32-29+,33-28+,36-31+/t37?,38-,39-,40-,41-,42+,43-,45-/m1/s1

inchikey

  • FLCIOTVHCJKHJR-LWZWQNNYSA-N

mass

  • 782.157

monoisotopicmass

  • 781.60678

smiles

  • O=C(NC([C@H](O)/C=C/CC/C=C(/CCCCCCCCCCCCC)/C)CO[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)[C@H](O)/C=C/CCCCCCCCCCCC

subset

  • 2_STAR

synonym EXACT

  • (E,2R)-2-hydroxy-N-[(3R,4E,8E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosa-4,8-dien-2-yl]hexadec-3-enamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200437

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