RefMet Compound Details

RefMet IDRM0135132
MW structure21275 (View MW Metabolite Database details)
RefMet name6-Deoxyerythronolide B
Systematic name(3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-14-ethyl-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
SMILESCC[C@@H]1[C@H](C)[C@@H]([C@@H](C)C(=O)[C@H](C)C[C@H](C)[C@@H]([C@@H](C)[C@@H]([C@@H](C)C(=O)O1)O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass386.266841 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC21H38O6View other entries in RefMet with this formula
InChIInChI=1S/C21H38O6/c1-8-16-12(4)19(24)13(5)17(22)10(2)9-11(3)18(23)14(6)20(25)15(7)21(26)27-16/h10-16,18-20,23-25H,8-9H2,1-7H3/t10-
,11+,12+,13+,14-,15-,16-,18+,19+,20+/m1/s1
InChIKeyHQZOLNNEQAKEHT-IBBGRPSASA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPolyketides
Main ClassMacrolides
Sub ClassMacrolides
Pubchem CID121904
ChEBI ID16089
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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