CHEBI:29523 - Avermectin A1a aglycone

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ChEBI Name Avermectin A1a aglycone
ChEBI ID CHEBI:29523
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C35H50O8
Net Charge 0
Average Mass 598.768
Monoisotopic Mass 598.35057
InChI InChI=1S/C35H50O8/c1-8-20(2)30-23(5)14-15-34(43-30)18-27-17-26(42-34)13-12-22(4)29(36)21(3)10-9-11-25-19-40-32-31(39-7)24(6)16-28(33(37)41-27)35(25,32)38/h9-12,14-16,20-21,23,26-32,36,38H,8,13,17-19H2,1-7H3/b10-9+,22-12+,25-11+/t20?,21-,23-,26+,27-,28-,29-,30+,31+,32+,34+,35+/m0/s1
InChIKey FZZBQPABSWVSND-UBDJLKLUSA-N
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](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C=C[C@@H]1C
ChEBI Ontology
Outgoing Avermectin A1a aglycone (CHEBI:29523) is a pyrans (CHEBI:26407)
Synonym Source
Avermectin A1a aglycone KEGG COMPOUND
Manual Xref Database
C11980 KEGG COMPOUND
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Last Modified
28 July 2014