CHEBI:138814 - 5-Oxoavermectin "1a" aglycone

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ChEBI Name 5-Oxoavermectin "1a" aglycone
ChEBI ID CHEBI:138814
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C34H46O8
Net Charge 0
Average Mass 582.726
Monoisotopic Mass 582.31927
InChI InChI=1S/C34H46O8/c1-7-19(2)30-22(5)13-14-33(42-30)17-26-16-25(41-33)12-11-21(4)28(35)20(3)9-8-10-24-18-39-31-29(36)23(6)15-27(32(37)40-26)34(24,31)38/h8-11,13-15,19-20,22,25-28,30-31,35,38H,7,12,16-18H2,1-6H3/b9-8+,21-11+,24-10+/t19?,20-,22-,25+,26-,27-,28-,30+,31+,33+,34+/m0/s1
InChIKey ZSPNNRIPLTXTIF-ZJHNFQRCSA-N
SMILES [C@]12(C=C[C@H](C)[C@@H](C(C)CC)O1)C[C@@H]3C[C@H](O2)CC=C([C@H]([C@H](C=CC=C4[C@]5([C@H](C(=O)O3)C=C(C([C@]5(OC4)[H])=O)C)O)C)O)C
ChEBI Ontology
Outgoing 5-Oxoavermectin "1a" aglycone (CHEBI:138814) is a macrolide (CHEBI:25106)
Manual Xref Database
C11978 KEGG COMPOUND
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Last Modified
25 October 2017