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CHEBI:222450 - Neorustmicin D

ChEBI IDCHEBI:222450
ChEBI NameNeorustmicin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O5
Net Charge0
Average Mass352.471
Monoisotopic Mass352.22497
SMILESCC[C@H]1OC(=O)[C@H](C)[C@@H](O)C(=O)C/C(C)=C/[C@H](C)[C@H](O)/C(C)=C/[C@H]1C
InChIInChI=1S/C20H32O5/c1-7-17-12(3)10-14(5)18(22)13(4)8-11(2)9-16(21)19(23)15(6)20(24)25-17/h8,10,12-13,15,17-19,22-23H,7,9H2,1-6H3/b11-8+,14-10+/t12-,13+,15-,17-,18+,19-/m1/s1
InChIKeyNSIYKHMKVAGRQL-ZEAMGNRYSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (3759645)
ChEBI Ontology
Outgoing Relation(s)
Neorustmicin D (CHEBI:222450) is a macrolide (CHEBI:25106)
IUPAC Name 
(3R,4R,7E,9S,10S,11E,13R,14R)-14-ethyl-4,10-dihydroxy-3,7,9,11,13-pentamethyl-1-oxacyclotetradeca-7,11-diene-2,5-dione
Manual XrefsDatabases
78443010ChemSpider