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CHEBI:224058 - (1S,5'R,6'R,10Z,12Z,14S,15S,16Z,19R,21S)-6'-[(2S)-butan-2-yl]-7,15-dihydroxy-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]-3,4'-dione

ChEBI IDCHEBI:224058
ChEBI Name(1S,5'R,6'R,10Z,12Z,14S,15S,16Z,19R,21S)-6'-[(2S)-butan-2-yl]-7,15-dihydroxy-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]-3,4'-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H46O7
Net Charge0
Average Mass566.735
Monoisotopic Mass566.32435
SMILESCC[C@H](C)[C@H]1O[C@]2(CC(=O)[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O)[C@@H](C)/C=C\C=C(\C)c3cc(O)c(C)cc3C(=O)O1)O2
InChIInChI=1S/C34H46O7/c1-8-19(2)32-24(7)30(36)18-34(41-32)17-26-15-25(40-34)13-12-22(5)31(37)21(4)11-9-10-20(3)27-16-29(35)23(6)14-28(27)33(38)39-26/h9-12,14,16,19,21,24-26,31-32,35,37H,8,13,15,17-18H2,1-7H3/b11-9-,20-10-,22-12-/t19-,21-,24-,25+,26-,31-,32+,34-/m0/s1
InChIKeyKHPJFZONTNKGTH-OXLHMNQBSA-N
Species of MetaboliteComponentSourceComments
Streptomyces avermitilis (ncbitaxon:33903) - PubMed (19680282)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
(1S,5'R,6'R,10Z,12Z,14S,15S,16Z,19R,21S)-6'-[(2S)-butan-2-yl]-7,15-dihydroxy-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]-3,4'-dione (CHEBI:224058) is a milbemycin (CHEBI:50345)
IUPAC Name 
(1S,5'R,6'R,10Z,12Z,14S,15S,16Z,19R,21S)-6'-[(2S)-butan-2-yl]-7,15-dihydroxy-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]-3,4'-dione
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