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Concept information

Preferred term

milbemycin alpha25  

Type

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

Broader concept

charge

  • 0

formula

  • C33H48O8

inchi

  • InChI=1S/C33H48O8/c1-6-28-22(4)12-13-32(41-28)17-26-16-25(40-32)11-10-21(3)14-20(2)8-7-9-24-19-38-30-29(37-5)23(18-34)15-27(31(35)39-26)33(24,30)36/h7-10,15,20,22,25-30,34,36H,6,11-14,16-19H2,1-5H3/b8-7+,21-10+,24-9-/t20-,22-,25+,26-,27-,28+,29+,30+,32+,33+/m0/s1

inchikey

  • MBHWVZHKECHVOD-NXUJUDBJSA-N

mass

  • 572.739

monoisotopicmass

  • 572.33492

smiles

  • O=C1O[C@@H]2C[C@]3(O[C@@H](C2)CC=C(C[C@H](C=CC=C4[C@]5([C@H]1C=C([C@@H](OC)[C@H]5OC4)CO)O)C)C)O[C@@H]([C@@H](C)CC3)CC

subset

  • 2_STAR

synonym EXACT

  • (1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21R,24S)-6'-ethyl-24-hydroxy-22-(hydroxymethyl)-21-methoxy-5',11,13-trimethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:226509

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