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CHEBI:198152 - Abybetaomicin I

ChEBI IDCHEBI:198152
ChEBI NameAbybetaomicin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O6
Net Charge0
Average Mass348.395
Monoisotopic Mass348.15729
SMILESC[C@@H]1CCC(=O)C2=C3O[C@@]4(C)[C@H](C)C[C@@]3(OC2=O)[C@H](/C=C\[C@H]1O)[C@H]4O
InChIInChI=1S/C19H24O6/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/h5,7,9-12,15,20,22H,4,6,8H2,1-3H3/b7-5-/t9-,10-,11-,12-,15-,18+,19-/m1/s1
InChIKeyCDXKGPDOCVNEGD-WMFZECOHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (21028891)
ChEBI Ontology
Outgoing Relation(s)
Abybetaomicin I (CHEBI:198152) is a oxanes (CHEBI:46942)
IUPAC Name 
(1S,2R,3R,4E,6S,7R,14R,16R)-2,6-dihydroxy-1,7,16-trimethyl-13,17-dioxatetracyclo[9.5.2.03,14.014,18]octadeca-4,11(18)-diene-10,12-dione
Manual XrefsDatabases
26389822ChemSpider