CHEBI:204023 - Milbemycin alpha24

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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 alpha24
ChEBI ID CHEBI:204023
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H46O8
Net Charge 0
Average Mass 558.712
Monoisotopic Mass 558.31927
InChI InChI=1S/C32H46O8/c1-19-7-6-8-24-18-37-29-28(36-5)23(17-33)14-27(32(24,29)35)30(34)38-26-15-25(10-9-20(2)13-19)40-31(16-26)12-11-21(3)22(4)39-31/h6-9,14,19,21-22,25-29,33,35H,10-13,15-18H2,1-5H3/b7-6+,20-9+,24-8-/t19-,21-,22+,25+,26-,27-,28+,29+,31-,32+/m0/s1
InChIKey JOZFTBFLFFGCEJ-KWRZRNPLSA-N
SMILES O=C1O[C@@H]2C[C@]3(O[C@@H](C2)CC=C(C[C@H](C=CC=C4[C@]5([C@H]1C=C([C@@H](OC)[C@H]5OC4)CO)O)C)C)O[C@@H]([C@@H](C)CC3)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
(via milbemycin )
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ChEBI Ontology
Outgoing Milbemycin alpha24 (CHEBI:204023) is a milbemycin (CHEBI:50345)
IUPAC Name
(1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21R,24S)-24-hydroxy-22-(hydroxymethyl)-21-methoxy-5',6',11,13-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
Manual Xref Database
8968248 ChemSpider
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