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CHEBI:218332 - 4,25-diethyl-4,25-demethyl-milbemycin beta3

ChEBI IDCHEBI:218332
ChEBI Name4,25-diethyl-4,25-demethyl-milbemycin beta3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H46O5
Net Charge0
Average Mass522.726
Monoisotopic Mass522.33452
SMILESCCc1cc2c(cc1O)/C(C)=C/C=C/[C@H](C)C/C(C)=C/C[C@@H]1C[C@@H](C[C@]3(CC[C@H](C)[C@@H](CC)O3)O1)OC2=O
InChIInChI=1S/C33H46O5/c1-7-25-17-29-28(19-30(25)34)23(5)11-9-10-21(3)16-22(4)12-13-26-18-27(36-32(29)35)20-33(37-26)15-14-24(6)31(8-2)38-33/h9-12,17,19,21,24,26-27,31,34H,7-8,13-16,18,20H2,1-6H3/b10-9+,22-12+,23-11+/t21-,24-,26+,27-,31+,33+/m0/s1
InChIKeyQUCNXDNZNHAZDJ-NNNJWTRQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (27589571)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
4,25-diethyl-4,25-demethyl-milbemycin beta3 (CHEBI:218332) is a milbemycin (CHEBI:50345)
IUPAC Name 
(1S,5'S,6'R,10E,12E,14R,16E,19R,21R)-6,6'-diethyl-7-hydroxy-5',10,14,16-tetramethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-4(9),5,7,10,12,16-hexaene-21,2'-oxane]-3-one
Manual XrefsDatabases
78441809ChemSpider