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CHEBI:29531 - Avermectin A2b

ChEBI IDCHEBI:29531
ChEBI NameAvermectin A2b
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC48H74O15
Net Charge0
Average Mass891.105
Monoisotopic Mass890.50277
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]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[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)C)O5)O4)OC(=O)[C@H](C=C(C)[C@H]1OC)[C@]32O
WURCSWURCS=2.0/2,2,1/[ad211m-1a_1-5_1*OC^SC=^ECCC^ROC^ROC^RC^SC^SC$9/13O/12C/11CC/17C/9CC^SOCC^RC^SC^RC^RC=^XC$24/28C/27OC/26OCC=^ECC=^ECC^S$3/39C/35$25/25O/23=O/21C$7/4C_3*OC][ad211m-1a_1-5_3*OC]/1-2/a4-b1
InChIInChI=1S/C48H74O15/c1-24(2)41-28(6)35(49)22-47(63-41)21-33-18-32(62-47)16-15-26(4)42(60-39-20-37(54-10)44(30(8)58-39)61-38-19-36(53-9)40(50)29(7)57-38)25(3)13-12-14-31-23-56-45-43(55-11)27(5)17-34(46(51)59-33)48(31,45)52/h12-15,17,24-25,28-30,32-45,49-50,52H,16,18-23H2,1-11H3/b13-12+,26-15+,31-14+/t25-,28-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39-,40-,41+,42-,43+,44-,45+,47-,48+/m0/s1
InChIKeyQUTFLJHOCPQPEW-WUSILSRKSA-N
ChEBI Ontology
Outgoing Relation(s)
Avermectin A2b (CHEBI:29531) is a oligosaccharide (CHEBI:50699)
Synonym  Source
Avermectin A2bKEGG COMPOUND
Manual XrefsDatabases
C11960KEGG COMPOUND
Registry NumbersSources
CAS:65195-54-2KEGG COMPOUND