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Concept information

organooxygen compound > oxacycle > cyclic ketal > spiroketal > avermectin b2a aglycone
... > organooxygen compound > acetal > ketal > cyclic ketal > spiroketal > avermectin b2a aglycone
organooxygen compound > ester > lactone > macrocyclic lactone > avermectin b2a aglycone
organooxygen compound > oxacycle > lactone > macrocyclic lactone > avermectin b2a aglycone

Preferred term

avermectin b2a aglycone  

Type

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

charge

  • 0

formula

  • C34H50O9

inchi

  • InChI=1S/C34H50O9/c1-7-18(2)30-22(6)27(35)16-33(43-30)15-25-14-24(42-33)12-11-20(4)28(36)19(3)9-8-10-23-17-40-31-29(37)21(5)13-26(32(38)41-25)34(23,31)39/h8-11,13,18-19,22,24-31,35-37,39H,7,12,14-17H2,1-6H3/b9-8+,20-11+,23-10+/t18?,19-,22-,24+,25-,26-,27-,28-,29+,30+,31+,33-,34+/m0/s1

inchikey

  • OHOQCCGOWLRCOH-BWHVHRGVSA-N

mass

  • 602.757

monoisotopicmass

  • 602.34548

smiles

  • CCC(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 B2a aglycone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:29541

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