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Concept information

Preferred term

methyl 8-/{[alpha-l-fucosyl-(1->2)-beta-d-galactosyl-(1->3)-n-acetyl-beta-d-glucosaminyl]oxy/}nonanoate  

Type

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

charge

  • 0

formula

  • C30H53NO17

inchi

  • InChI=1S/C30H53NO17/c1-14-20(36)23(39)25(41)29(44-14)48-27-24(40)21(37)16(12-32)46-30(27)47-26-19(31-15(2)34)28(45-17(13-33)22(26)38)43-11-9-7-5-4-6-8-10-18(35)42-3/h14,16-17,19-30,32-33,36-41H,4-13H2,1-3H3,(H,31,34)/t14-,16+,17+,19+,20+,21-,22+,23+,24-,25-,26+,27+,28+,29-,30-/m0/s1

inchikey

  • QEZKYNPMOCSVNG-JZBPMIOASA-N

mass

  • 699.744

monoisotopicmass

  • 699.33135

smiles

  • O([C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C)O[C@@H]2O[C@@H]([C@H](O)[C@@H]([C@H]2O[C@@H]3O[C@H]([C@H]([C@H]([C@@H]3O)O)O)C)O)CO)O)CCCCCCCCC(OC)=O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:145978

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