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CHEBI:230040 - Pesticide4_Ivermectin_C48H74O14_22,23-dihydroavermectin B1

ChEBI IDCHEBI:230040
ChEBI NamePesticide4_Ivermectin_C48H74O14_22,23-dihydroavermectin B1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H74O14
Net Charge0
Average Mass875.106
Monoisotopic Mass874.50786
SMILESCCC(C)C1OC2(CCC1C)CC1CC(C/C=C(\C)C(OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)C(C)/C=C/C=C3\COC4C(O)C(C)=CC(C(=O)O1)C34O)O2
InChIInChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+
InChIKeyAZSNMRSAGSSBNP-IQQVKNEDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Pesticide4_Ivermectin_C48H74O14_22,23-dihydroavermectin B1 (CHEBI:230040) is a milbemycin (CHEBI:50345)
IUPAC Name 
(10E,14E,16E)-6'-butan-2-yl-21,24-dihydroxy-12-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
Manual XrefsDatabases
21612973ChemSpider