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CHEBI:200782 - Neorustmicin A

ChEBI IDCHEBI:200782
ChEBI NameNeorustmicin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O5
Net Charge0
Average Mass364.482
Monoisotopic Mass364.22497
SMILESC=C1/C=C(\C)[C@H](CC)OC(=O)[C@H](C)C(=O)[C@@](O)(CO)C/C(C)=C/[C@@H](C)C1
InChIInChI=1S/C21H32O5/c1-7-18-16(5)10-14(3)8-13(2)9-15(4)11-21(25,12-22)19(23)17(6)20(24)26-18/h9-10,13,17-18,22,25H,3,7-8,11-12H2,1-2,4-6H3/b15-9+,16-10+/t13-,17+,18-,21-/m0/s1
InChIKeyMRDSIEAKMVLPRW-PWIIXOMXSA-N
Species of MetaboliteComponentSourceComments
Puccinia (ncbitaxon:5296) - PubMed (3841539)
ChEBI Ontology
Outgoing Relation(s)
Neorustmicin A (CHEBI:200782) is a macrolide (CHEBI:25106)
IUPAC Name 
(3R,5S,7E,9S,12E,14S)-14-ethyl-5-hydroxy-5-(hydroxymethyl)-3,7,9,13-tetramethyl-11-methylidene-1-oxacyclotetradeca-7,12-diene-2,4-dione
Manual XrefsDatabases
4943308ChemSpider