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CHEBI:200784 - 6,8a-Seco-6,8a-deoxy-2,5-didehydroaverme

ChEBI IDCHEBI:200784
ChEBI Name6,8a-Seco-6,8a-deoxy-2,5-didehydroaverme
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H72O13
Net Charge0
Average Mass857.091
Monoisotopic Mass856.49729
SMILESCCC(C)C1OC2(CC3CC(C/C=C(/C)C(OC4CC(OC)C(OC5CC(OC)C(O)C(C)O5)C(C)O4)C(C)/C=C\C=C(\C)c4cc(O)c(C)cc4C(=O)O3)O2)CC(O)C1C
InChIInChI=1S/C48H72O13/c1-12-25(2)45-30(7)38(50)24-48(61-45)23-34-19-33(60-48)17-16-28(5)44(27(4)15-13-14-26(3)35-20-37(49)29(6)18-36(35)47(52)57-34)58-42-22-40(54-11)46(32(9)56-42)59-41-21-39(53-10)43(51)31(8)55-41/h13-16,18,20,25,27,30-34,38-46,49-51H,12,17,19,21-24H2,1-11H3/b15-13-,26-14-,28-16-
InChIKeyZRYHPEOHTDJRCY-VZUATFRUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces avermitilis (ncbitaxon:33903) - PubMed (7868391)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
6,8a-Seco-6,8a-deoxy-2,5-didehydroaverme (CHEBI:200784) is a milbemycin (CHEBI:50345)
IUPAC Name 
(10Z,12Z,16Z)-6'-butan-2-yl-4',7-dihydroxy-15-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',6,10,14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-4(9),5,7,10,12,16-hexaene-21,2'-oxane]-3-one
Manual XrefsDatabases
78443961ChemSpider