CHEBI:29536 - Avermectin B1a monosaccharide

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ChEBI Name Avermectin B1a monosaccharide
ChEBI ID CHEBI:29536
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C41H60O11
Net Charge 0
Average Mass 728.910
Monoisotopic Mass 728.41356
InChI InChI=1S/C41H60O11/c1-9-22(2)37-25(5)15-16-40(52-37)20-30-18-29(51-40)14-13-24(4)36(50-33-19-32(46-8)35(43)27(7)48-33)23(3)11-10-12-28-21-47-38-34(42)26(6)17-31(39(44)49-30)41(28,38)45/h10-13,15-17,22-23,25,27,29-38,42-43,45H,9,14,18-21H2,1-8H3/b11-10+,24-13+,28-12+/t22?,23-,25-,27-,29+,30-,31-,32-,33-,34+,35-,36-,37+,38+,40+,41+/m0/s1
InChIKey ZBVWYDMYMRLKIV-QRPTXGNISA-N
SMILES CCC(C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[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[C@@H]1C
ChEBI Ontology
Outgoing Avermectin B1a monosaccharide (CHEBI:29536) is a glycoside (CHEBI:24400)
Synonym Source
Avermectin B1a monosaccharide KEGG COMPOUND
Manual Xref Database
C11981 KEGG COMPOUND
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Last Modified
28 July 2014