CHEBI:220232 - 27-methoxylmilbemycin 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-methoxylmilbemycin alpha31
ChEBI ID CHEBI:220232
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C33H44O7
Net Charge 0
Average Mass 552.708
Monoisotopic Mass 552.30870
InChI InChI=1S/C33H44O7/c1-7-27-21(4)13-14-33(40-27)18-24-17-23(39-33)12-11-20(3)15-19(2)9-8-10-25-28-26(31(35)37-24)16-22(5)29(34)30(28)38-32(25)36-6/h8-11,16,19,21,23-24,27,32,34H,7,12-15,17-18H2,1-6H3/b9-8+,20-11+,25-10?/t19-,21-,23+,24-,27+,32?,33+/m0/s1
InChIKey JWOMEKXEWNUTBW-MUTVBVKVSA-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(=C5OC4OC)O)C)C)O[C@@H]([C@@H](C)CC3)CC
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 27-methoxylmilbemycin alpha31 (CHEBI:220232) is a macrolide (CHEBI:25106)
IUPAC Name
(4S,5'S,6R,6'R,8R,10E,13R,14E)-6'-ethyl-21-hydroxy-18-methoxy-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