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CHEBI:223055 - Milbemycin J

ChEBI IDCHEBI:223055
ChEBI NameMilbemycin J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H42O7
Net Charge0
Average Mass526.670
Monoisotopic Mass526.29305
SMILESCC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@H](C1=O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3
InChIInChI=1S/C31H42O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-26,28,34H,10-13,15-17H2,1-5H3/b7-6+,19-9+,23-8-/t18-,20-,22+,24+,25-,26-,28+,30-,31+/m0/s1
InChIKeyCZHVEYHEDZMISR-KJGFQORISA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (6874569)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Milbemycin J (CHEBI:223055) is a milbemycin (CHEBI:50345)
IUPAC Name 
(1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20S,24S)-24-hydroxy-5',6',11,13,22-pentamethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2,21-dione
Manual XrefsDatabases
16736423ChemSpider