EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198560 - Milbemycin beta11

ChEBI IDCHEBI:198560
ChEBI NameMilbemycin beta11
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46O7
Net Charge0
Average Mass530.702
Monoisotopic Mass530.32435
SMILESCC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C(\C)[C@]2(O)[C@H](O)[C@@H]1O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3
InChIInChI=1S/C31H46O7/c1-18-8-7-9-22(5)31(35)26(15-21(4)27(32)28(31)33)29(34)36-25-16-24(11-10-19(2)14-18)38-30(17-25)13-12-20(3)23(6)37-30/h7-10,15,18,20,23-28,32-33,35H,11-14,16-17H2,1-6H3/b8-7+,19-10+,22-9+/t18-,20-,23+,24+,25-,26-,27+,28+,30-,31+/m0/s1
InChIKeyBAYQGUBTKMOTSJ-WZCFKJIISA-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 beta11 (CHEBI:198560) is a milbemycin (CHEBI:50345)
IUPAC Name 
(1S,4R,5'S,6'R,7R,8R,9S,10E,12E,14R,16E,19R,21R)-7,8,9-trihydroxy-5',6,6',10,14,16-hexamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
Manual XrefsDatabases
8729616ChemSpider