CHEBI:138850 - 6,8a-seco-6,8a-deoxy-5-oxoavermectin "1b" aglycone

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ChEBI Name 6,8a-seco-6,8a-deoxy-5-oxoavermectin "1b" aglycone
ChEBI ID CHEBI:138850
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C33H46O7
Net Charge 0
Average Mass 554.715
Monoisotopic Mass 554.32435
InChI InChI=1S/C33H46O7/c1-19(2)30-22(5)13-14-32(40-30)17-26-16-25(39-32)12-11-21(4)29(35)20(3)9-8-10-24(7)33(37)18-28(34)23(6)15-27(33)31(36)38-26/h8-11,13-15,19-20,22,25-27,29-30,35,37H,12,16-18H2,1-7H3/b9-8+,21-11+,24-10+/t20-,22-,25+,26-,27-,29-,30+,32+,33+/m0/s1
InChIKey LJZCBZHTBRRKCW-HJKYXOAMSA-N
SMILES [C@]12(C=C[C@H](C)[C@@H](C(C)C)O1)C[C@@H]3C[C@H](O2)CC=C([C@H]([C@H](C=CC=C([C@]4([C@H](C(=O)O3)C=C(C(C4)=O)C)O)C)C)O)C
ChEBI Ontology
Outgoing 6,8a-seco-6,8a-deoxy-5-oxoavermectin "1b" aglycone (CHEBI:138850) is a macrolide (CHEBI:25106)
Manual Xref Database
C11961 KEGG COMPOUND
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Last Modified
26 October 2017