EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198740 - Milbemycin beta13

ChEBI IDCHEBI:198740
ChEBI NameMilbemycin beta13
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H42O6
Net Charge0
Average Mass510.671
Monoisotopic Mass510.29814
SMILESC/C1=C/C[C@@H]2C[C@@H](C[C@]3(CC[C@H](C)[C@@H](C)O3)O2)OC(=O)c2cc(C)c(O)cc2/C(CO)=C\C=C/[C@H](C)C1
InChIInChI=1S/C31H42O6/c1-19-7-6-8-24(18-32)27-16-29(33)22(4)14-28(27)30(34)35-26-15-25(10-9-20(2)13-19)37-31(17-26)12-11-21(3)23(5)36-31/h6-9,14,16,19,21,23,25-26,32-33H,10-13,15,17-18H2,1-5H3/b7-6-,20-9-,24-8-/t19-,21-,23+,25+,26-,31-/m0/s1
InChIKeyCKAICYUWGYNDQA-NSJKHJHQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces bingchenggensis (ncbitaxon:379067) - PubMed (17617691)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Milbemycin beta13 (CHEBI:198740) is a milbemycin (CHEBI:50345)
IUPAC Name 
(1S,5'S,6'R,10E,12Z,14R,16Z,19R,21R)-7-hydroxy-10-(hydroxymethyl)-5',6,6',14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-4(9),5,7,10,12,16-hexaene-21,2'-oxane]-3-one
Manual XrefsDatabases
78436399ChemSpider