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CHEBI:29538 - Avermectin B1b aglycone

Default Structure
ChEBI IDCHEBI:29538
ChEBI NameAvermectin B1b aglycone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC33H46O8
Net Charge0
Average Mass570.723
Monoisotopic Mass570.31927
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[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@H](C=C(C)[C@H]1O)[C@]32O
InChIInChI=1S/C33H46O8/c1-18(2)29-21(5)12-13-32(41-29)16-25-15-24(40-32)11-10-20(4)27(34)19(3)8-7-9-23-17-38-30-28(35)22(6)14-26(31(36)39-25)33(23,30)37/h7-10,12-14,18-19,21,24-30,34-35,37H,11,15-17H2,1-6H3/b8-7+,20-10+,23-9+/t19-,21-,24+,25-,26-,27-,28+,29+,30+,32+,33+/m0/s1
InChIKeyIVLVHFFFOVKPKM-XMGCMGKSSA-N
ChEBI Ontology
Outgoing Relation(s)
Avermectin B1b aglycone (CHEBI:29538) is a pyrans (CHEBI:26407)
Synonym  Source
Avermectin B1b aglyconeKEGG COMPOUND
Manual XrefsDatabases
C11963KEGG COMPOUND