CHEBI:204886 - Milbemycin 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 Milbemycin alpha31
ChEBI ID CHEBI:204886
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H42O6
Net Charge 0
Average Mass 522.682
Monoisotopic Mass 522.29814
InChI InChI=1S/C32H42O6/c1-6-27-21(4)12-13-32(38-27)17-25-16-24(37-32)11-10-20(3)14-19(2)8-7-9-23-18-35-30-28(23)26(31(34)36-25)15-22(5)29(30)33/h7-10,15,19,21,24-25,27,33H,6,11-14,16-18H2,1-5H3/b8-7-,20-10-,23-9-/t19-,21-,24+,25-,27+,32+/m0/s1
InChIKey ZYUWEJDCQXCSMF-SSKSLTGKSA-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)C)C)O[C@@H]([C@@H](C)CC3)CC
Metabolite of Species Details
Streptomyces bingchenggensis (NCBI:txid379067) See: PubMed
ChEBI Ontology
Outgoing Milbemycin alpha31 (CHEBI:204886) is a macrolide (CHEBI:25106)
IUPAC Name
(4S,5'S,6R,6'R,8R,10Z,13R,14Z,16E)-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-one
Manual Xref Database
78437213 ChemSpider
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