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Concept information

Preferred term

avermectin b2b aglycone  

Type

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

Broader concept

charge

  • 0

formula

  • C33H48O9

inchi

  • InChI=1S/C33H48O9/c1-17(2)29-21(6)26(34)15-32(42-29)14-24-13-23(41-32)11-10-19(4)27(35)18(3)8-7-9-22-16-39-30-28(36)20(5)12-25(31(37)40-24)33(22,30)38/h7-10,12,17-18,21,23-30,34-36,38H,11,13-16H2,1-6H3/b8-7+,19-10+,22-9+/t18-,21-,23+,24-,25-,26-,27-,28+,29+,30+,32-,33+/m0/s1

inchikey

  • CZMBJLNTFCNLGQ-QJEXIZKGSA-N

mass

  • 588.730

monoisotopicmass

  • 588.32983

smiles

  • CC(C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(C)/[C@@H](O)[C@@H](C)/C=C/C=C4/CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C

subset

  • 2_STAR

synonym EXACT

  • Avermectin B2b aglycone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:29544

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