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CHEBI:222461 - Neorustmicin B

ChEBI IDCHEBI:222461
ChEBI NameNeorustmicin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O7
Net Charge0
Average Mass398.496
Monoisotopic Mass398.23045
SMILESCC[C@@H]1OC(=O)[C@@H](C)C(=O)[C@]2(O)CO[C@](OC)(C[C@H](C)C/C(C)=C/[C@@]1(C)O)C2
InChIInChI=1S/C21H34O7/c1-7-16-19(5,24)9-13(2)8-14(3)10-21(26-6)11-20(25,12-27-21)17(22)15(4)18(23)28-16/h9,14-16,24-25H,7-8,10-12H2,1-6H3/b13-9+/t14-,15+,16+,19-,20-,21-/m1/s1
InChIKeyJLVZVGQWWZKQQV-VNTKHWCJSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (3759645)
ChEBI Ontology
Outgoing Relation(s)
Neorustmicin B (CHEBI:222461) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,3S,6S,7R,8E,11R,13R)-6-ethyl-1,7-dihydroxy-13-methoxy-3,7,9,11-tetramethyl-5,14-dioxabicyclo[11.2.1]hexadec-8-ene-2,4-dione
Manual XrefsDatabases
78443012ChemSpider