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CHEBI:138850 - 6,8a-seco-6,8a-deoxy-5-oxoavermectin "1b" aglycone

ChEBI IDCHEBI:138850
ChEBI Name6,8a-seco-6,8a-deoxy-5-oxoavermectin "1b" aglycone
Stars
Last Modified26 October 2017
Submittermwilliams
DownloadsMolfile
FormulaC33H46O7
Net Charge0
Average Mass554.724
Monoisotopic Mass554.32435
SMILESCC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)[C@]2(O)CC1=O)O[C@@]1(C=C[C@H](C)[C@@H](C(C)C)O1)C3
InChIInChI=1S/C33H46O7/c1-19(2)30-22(5)13-14-32(40-30)17-26-16-25(39-32)12-11-21(4)29(35)20(3)9-8-10-24(7)33(37)18-28(34)23(6)15-27(33)31(36)38-26/h8-11,13-15,19-20,22,25-27,29-30,35,37H,12,16-18H2,1-7H3/b9-8+,21-11+,24-10+/t20-,22-,25+,26-,27-,29-,30+,32+,33+/m0/s1
InChIKeyLJZCBZHTBRRKCW-HJKYXOAMSA-N
ChEBI Ontology
Outgoing Relation(s)
6,8a-seco-6,8a-deoxy-5-oxoavermectin "1b" aglycone (CHEBI:138850) is a macrolide (CHEBI:25106)
Manual XrefsDatabases
C11961KEGG COMPOUND