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CHEBI:198362 - VM54168

ChEBI IDCHEBI:198362
ChEBI NameVM54168
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H48O7
Net Charge0
Average Mass568.751
Monoisotopic Mass568.34000
SMILESC/C=C(\C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C(\C=O)[C@]3(O)C[C@H](O)C(C)=C[C@H]3C(=O)O1)O2
InChIInChI=1S/C34H48O7/c1-7-23(4)31-24(5)13-14-33(41-31)18-28-17-27(40-33)12-11-22(3)15-21(2)9-8-10-26(20-35)34(38)19-30(36)25(6)16-29(34)32(37)39-28/h7-11,16,20-21,24,27-31,36,38H,12-15,17-19H2,1-6H3/b9-8+,22-11+,23-7+,26-10+/t21-,24-,27+,28-,29-,30-,31+,33+,34+/m0/s1
InChIKeyCHCOJVIDIGKSLY-VGZCZQOKSA-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)
VM54168 (CHEBI:198362) is a milbemycin (CHEBI:50345)
IUPAC Name 
(1S,4R,5'S,6'S,7S,9S,10Z,12E,14R,16E,19R,21R)-6'-[(E)-but-2-en-2-yl]-7,9-dihydroxy-5',6,14,16-tetramethyl-3-oxospiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-10-carbaldehyde
Manual XrefsDatabases
8636049ChemSpider