CHEBI:29544 - Avermectin B2b aglycone

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ChEBI Name Avermectin B2b aglycone
ChEBI ID CHEBI:29544
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C33H48O9
Net Charge 0
Average Mass 588.730
Monoisotopic Mass 588.32983
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
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
ChEBI Ontology
Outgoing Avermectin B2b aglycone (CHEBI:29544) is a oxanes (CHEBI:46942)
Synonym Source
Avermectin B2b aglycone KEGG COMPOUND
Manual Xref Database
C11955 KEGG COMPOUND
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Last Modified
28 July 2014