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CHEBI:29542 - Avermectin B2a monosaccharide

Default Structure
ChEBI IDCHEBI:29542
ChEBI NameAvermectin B2a monosaccharide
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC41H62O12
Net Charge0
Average Mass746.935
Monoisotopic Mass746.42413
SMILES[H][C@@]12OC/C3=C\C=C\[C@H](C)[C@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C[C@H](O)[C@H](C)[C@@H](C(C)CC)O5)O4)OC(=O)[C@H](C=C(C)[C@H]1O)[C@]32O
InChIInChI=1S/C41H62O12/c1-9-21(2)37-25(6)31(42)19-40(53-37)18-29-16-28(52-40)14-13-23(4)36(51-33-17-32(47-8)35(44)26(7)49-33)22(3)11-10-12-27-20-48-38-34(43)24(5)15-30(39(45)50-29)41(27,38)46/h10-13,15,21-22,25-26,28-38,42-44,46H,9,14,16-20H2,1-8H3/b11-10+,23-13+,27-12+/t21?,22-,25-,26-,28+,29-,30-,31-,32-,33-,34+,35-,36-,37+,38+,40-,41+/m0/s1
InChIKeyAIAMVBSMPZPBPX-QPBPBONSSA-N
ChEBI Ontology
Outgoing Relation(s)
Avermectin B2a monosaccharide (CHEBI:29542) is a glycoside (CHEBI:24400)
Synonym  Source
Avermectin B2a monosaccharideKEGG COMPOUND
Manual XrefsDatabases
C11973KEGG COMPOUND