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CHEBI:197789 - Milbemycin beta9

ChEBI IDCHEBI:197789
ChEBI NameMilbemycin beta9
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H48O8
Net Charge0
Average Mass560.728
Monoisotopic Mass560.33492
SMILESCO[C@@H]1C(C)=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C(\CO)[C@]2(O)[C@@H]1O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3
InChIInChI=1S/C32H48O8/c1-19-8-7-9-24(18-33)32(36)27(15-22(4)28(37-6)29(32)34)30(35)38-26-16-25(11-10-20(2)14-19)40-31(17-26)13-12-21(3)23(5)39-31/h7-10,15,19,21,23,25-29,33-34,36H,11-14,16-18H2,1-6H3/b8-7+,20-10+,24-9+/t19-,21-,23+,25+,26-,27-,28+,29+,31-,32+/m0/s1
InChIKeyHUGLSMLBRBBTGU-RFEBHRRASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (10994811)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Milbemycin beta9 (CHEBI:197789) is a milbemycin (CHEBI:50345)
IUPAC Name 
(1S,4R,5'S,6'R,7R,8R,9S,10E,12E,14R,16E,19R,21R)-8,9-dihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,6',14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
Manual XrefsDatabases
8825876ChemSpider