EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:200968 - VM54339

ChEBI IDCHEBI:200968
ChEBI NameVM54339
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H46O6
Net Charge0
Average Mass550.736
Monoisotopic Mass550.32944
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(\CO)c3cc(O)c(C)cc3C(=O)O1)O2
InChIInChI=1S/C34H46O6/c1-7-23(4)32-24(5)13-14-34(40-32)19-28-17-27(39-34)12-11-22(3)15-21(2)9-8-10-26(20-35)29-18-31(36)25(6)16-30(29)33(37)38-28/h7-11,16,18,21,24,27-28,32,35-36H,12-15,17,19-20H2,1-6H3/b9-8+,22-11+,23-7+,26-10+/t21-,24-,27+,28-,32+,34+/m0/s1
InChIKeyKOPYOPABTFQTRP-WMDGEUCHSA-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)
VM54339 (CHEBI:200968) is a milbemycin (CHEBI:50345)
IUPAC Name 
(1S,5'S,6'S,10Z,12E,14R,16E,19R,21R)-6'-[(E)-but-2-en-2-yl]-7-hydroxy-10-(hydroxymethyl)-5',6,14,16-tetramethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-4(9),5,7,10,12,16-hexaene-21,2'-oxane]-3-one
Manual XrefsDatabases
8849580ChemSpider