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CHEBI:29541 - Avermectin B2a aglycone

ChEBI IDCHEBI:29541
ChEBI NameAvermectin B2a aglycone
Stars
Last Modified16 April 2018
DownloadsMolfile
FormulaC34H50O9
Net Charge0
Average Mass602.765
Monoisotopic Mass602.34548
SMILES[H][C@@]12OC/C3=C\C=C\[C@H](C)[C@H](O)/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/C34H50O9/c1-7-18(2)30-22(6)27(35)16-33(43-30)15-25-14-24(42-33)12-11-20(4)28(36)19(3)9-8-10-23-17-40-31-29(37)21(5)13-26(32(38)41-25)34(23,31)39/h8-11,13,18-19,22,24-31,35-37,39H,7,12,14-17H2,1-6H3/b9-8+,20-11+,23-10+/t18?,19-,22-,24+,25-,26-,27-,28-,29+,30+,31+,33-,34+/m0/s1
InChIKeyOHOQCCGOWLRCOH-BWHVHRGVSA-N
ChEBI Ontology
Outgoing Relation(s)
Avermectin B2a aglycone (CHEBI:29541) is a macrocyclic lactone (CHEBI:63944)
Avermectin B2a aglycone (CHEBI:29541) is a secondary allylic alcohol (CHEBI:134396)
Avermectin B2a aglycone (CHEBI:29541) is a spiroketal (CHEBI:72600)
Avermectin B2a aglycone (CHEBI:29541) is a tertiary allylic alcohol (CHEBI:134397)
Synonym  Source
Avermectin B2a aglyconeKEGG COMPOUND
Manual XrefsDatabases
C11971KEGG COMPOUND