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Concept information

Preferred term

avermectin a2b monosaccharide  

Type

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

Broader concept

charge

  • 0

formula

  • C41H62O12

inchi

  • InChI=1S/C41H62O12/c1-21(2)35-25(6)31(42)19-40(53-35)18-29-16-28(52-40)14-13-23(4)36(51-33-17-32(46-8)34(43)26(7)49-33)22(3)11-10-12-27-20-48-38-37(47-9)24(5)15-30(39(44)50-29)41(27,38)45/h10-13,15,21-22,25-26,28-38,42-43,45H,14,16-20H2,1-9H3/b11-10+,23-13+,27-12+/t22-,25-,26-,28+,29-,30-,31-,32-,33-,34-,35+,36-,37+,38+,40-,41+/m0/s1

inchikey

  • GXBZQGMJJGJFFX-XDVLZLKUSA-N

mass

  • 746.925

monoisotopicmass

  • 746.42413

smiles

  • CO[C@H]1C[C@H](O[C@H]2[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](OC)C(C)=C[C@@H](C(=O)O[C@H]5C[C@@H](C/C=C2/C)O[C@]2(C5)C[C@H](O)[C@H](C)[C@H](O2)C(C)C)[C@]34O)O[C@@H](C)[C@@H]1O

subset

  • 2_STAR

synonym EXACT

  • Avermectin A2b monosaccharide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:29533

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