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CHEBI:219157 - Abybetaomicin 2

ChEBI IDCHEBI:219157
ChEBI NameAbybetaomicin 2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22O6
Net Charge0
Average Mass346.379
Monoisotopic Mass346.14164
SMILESC[C@H]1CCC(=O)C2=C3O[C@@]4(C)[C@@H](C)C[C@]3(OC2=O)[C@@H](/C=C\C1=O)[C@@H]4O
InChIInChI=1S/C19H22O6/c1-9-4-6-13(21)14-16-19(25-17(14)23)8-10(2)18(3,24-16)15(22)11(19)5-7-12(9)20/h5,7,9-11,15,22H,4,6,8H2,1-3H3/b7-5-/t9-,10-,11-,15-,18-,19-/m0/s1
InChIKeyHCCZDBLWIXYZAQ-NVKQKNDVSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (25560385)
ChEBI Ontology
Outgoing Relation(s)
Abybetaomicin 2 (CHEBI:219157) is a oxanes (CHEBI:46942)
IUPAC Name 
(1S,2S,3S,4E,7S,14S,16S)-2-hydroxy-1,7,16-trimethyl-13,17-dioxatetracyclo[9.5.2.03,14.014,18]octadeca-4,11(18)-diene-6,10,12-trione
Manual XrefsDatabases
35516763ChemSpider