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CHEBI:198213 - VM44867

ChEBI IDCHEBI:198213
ChEBI NameVM44867
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SubmitterMetaboLights
DownloadsMolfile
FormulaC35H52O8
Net Charge0
Average Mass600.793
Monoisotopic Mass600.36622
SMILESC/C=C(\C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C(\C)[C@]4(O)C(O)[C@H](OC)C(C)=C[C@H]4C(=O)O3)O2)[C@H](O)C[C@@H]1C
InChIInChI=1S/C35H52O8/c1-9-22(4)30-24(6)17-29(36)34(43-30)19-27-18-26(42-34)14-13-21(3)15-20(2)11-10-12-25(7)35(39)28(33(38)41-27)16-23(5)31(40-8)32(35)37/h9-13,16,20,24,26-32,36-37,39H,14-15,17-19H2,1-8H3/b11-10+,21-13+,22-9+,25-12+/t20-,24-,26+,27-,28-,29+,30+,31+,32?,34-,35+/m0/s1
InChIKeyAZADTSXNOSADFV-FUQSXLORSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8626244)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
VM44867 (CHEBI:198213) is a milbemycin (CHEBI:50345)
IUPAC Name 
(1S,3'R,4R,5'S,6'S,7R,9S,10E,12E,14R,16E,19R,21S)-6'-[(E)-but-2-en-2-yl]-3',8,9-trihydroxy-7-methoxy-5',6,10,14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
Manual XrefsDatabases
8969013ChemSpider