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Concept information

Preferred term

avermectin b1b aglycone  

Type

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

Broader concept

charge

  • 0

formula

  • C33H46O8

inchi

  • InChI=1S/C33H46O8/c1-18(2)29-21(5)12-13-32(41-29)16-25-15-24(40-32)11-10-20(4)27(34)19(3)8-7-9-23-17-38-30-28(35)22(6)14-26(31(36)39-25)33(23,30)37/h7-10,12-14,18-19,21,24-30,34-35,37H,11,15-17H2,1-6H3/b8-7+,20-10+,23-9+/t19-,21-,24+,25-,26-,27-,28+,29+,30+,32+,33+/m0/s1

inchikey

  • IVLVHFFFOVKPKM-XMGCMGKSSA-N

mass

  • 570.715

monoisotopicmass

  • 570.31927

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[C@@H]1C

subset

  • 2_STAR

synonym EXACT

  • Avermectin B1b aglycone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:29538

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