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CHEBI:220238 - 27-oxomilbemycin alpha31

ChEBI IDCHEBI:220238
ChEBI Name27-oxomilbemycin alpha31
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H40O7
Net Charge0
Average Mass536.665
Monoisotopic Mass536.27740
SMILESCC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C3C(=O)Oc4c(O)c(C)cc(c43)C(=O)O1)O2
InChIInChI=1S/C32H40O7/c1-6-26-20(4)12-13-32(39-26)17-23-16-22(38-32)11-10-19(3)14-18(2)8-7-9-24-27-25(31(35)36-23)15-21(5)28(33)29(27)37-30(24)34/h7-10,15,18,20,22-23,26,33H,6,11-14,16-17H2,1-5H3/b8-7+,19-10+,24-9?/t18-,20-,22+,23-,26+,32+/m0/s1
InChIKeyGJGIJDGGPGXLMB-OBQXLTHHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (27748635)
ChEBI Ontology
Outgoing Relation(s)
27-oxomilbemycin alpha31 (CHEBI:220238) is a macrolide (CHEBI:25106)
IUPAC Name 
(4S,5'S,6R,6'R,8R,10E,13R,14E)-6'-ethyl-21-hydroxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-1(24),10,14,16,20,22-hexaene-6,2'-oxane]-2,18-dione