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CHEBI:29543 - Avermectin B2b

ChEBI IDCHEBI:29543
ChEBI NameAvermectin B2b
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC47H72O15
Net Charge0
Average Mass877.078
Monoisotopic Mass876.48712
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]1O)[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/27O/26OCC=^ECC=^ECC^S$3/38C/34$25/25O/23=O/21C$7/4C_3*OC][ad211m-1a_1-5_3*OC]/1-2/a4-b1
InChIInChI=1S/C47H72O15/c1-23(2)41-27(6)34(48)21-46(62-41)20-32-17-31(61-46)15-14-25(4)42(24(3)12-11-13-30-22-55-44-39(49)26(5)16-33(45(51)58-32)47(30,44)52)59-38-19-36(54-10)43(29(8)57-38)60-37-18-35(53-9)40(50)28(7)56-37/h11-14,16,23-24,27-29,31-44,48-50,52H,15,17-22H2,1-10H3/b12-11+,25-14+,30-13+/t24-,27-,28-,29-,31+,32-,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46-,47+/m0/s1
InChIKeyZPAKHHSWIYDSBJ-YAGODIQJSA-N
ChEBI Ontology
Outgoing Relation(s)
Avermectin B2b (CHEBI:29543) is a oligosaccharide (CHEBI:50699)
Synonym  Source
Avermectin B2bKEGG COMPOUND
Manual XrefsDatabases
C11959KEGG COMPOUND
Registry NumbersSources
CAS:65195-58-6KEGG COMPOUND