CHEBI:29526 - Avermectin A1b aglycone

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ChEBI Name Avermectin A1b aglycone
ChEBI ID CHEBI:29526
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C34H48O8
Net Charge 0
Average Mass 584.741
Monoisotopic Mass 584.33492
InChI InChI=1S/C34H48O8/c1-19(2)29-22(5)13-14-33(42-29)17-26-16-25(41-33)12-11-21(4)28(35)20(3)9-8-10-24-18-39-31-30(38-7)23(6)15-27(32(36)40-26)34(24,31)37/h8-11,13-15,19-20,22,25-31,35,37H,12,16-18H2,1-7H3/b9-8+,21-11+,24-10+/t20-,22-,25+,26-,27-,28-,29+,30+,31+,33+,34+/m0/s1
InChIKey CMVQGLOOVJQBJX-JZSZVTLOSA-N
SMILES CO[C@H]1[C@H]2OC\C3=C/C=C/[C@H](C)[C@H](O)\C(C)=C\C[C@@H]4C[C@@H](C[C@]5(O4)O[C@H](C(C)C)[C@@H](C)C=C5)OC(=O)[C@H](C=C1C)[C@@]23O
ChEBI Ontology
Outgoing Avermectin A1b aglycone (CHEBI:29526) is a pyrans (CHEBI:26407)
Synonym Source
Avermectin A1b aglycone KEGG COMPOUND
Manual Xref Database
C11964 KEGG COMPOUND
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Last Modified
28 July 2014