CHEBI:220238 - 27-oxomilbemycin alpha31

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 27-oxomilbemycin alpha31
ChEBI ID CHEBI:220238
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H40O7
Net Charge 0
Average Mass 536.665
Monoisotopic Mass 536.27740
InChI InChI=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
InChIKey GJGIJDGGPGXLMB-OBQXLTHHSA-N
SMILES O=C1O[C@@H]2C[C@]3(O[C@@H](C2)CC=C(C[C@H](C=CC=C4C5=C1C=C(C)C(=C5OC4=O)O)C)C)O[C@@H]([C@@H](C)CC3)CC
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 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