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CHEBI:210158 - Leptazoline B

ChEBI IDCHEBI:210158
ChEBI NameLeptazoline B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H21ClN2O7
Net Charge0
Average Mass388.804
Monoisotopic Mass388.10373
SMILESC[C@H]1OC(c2cc(Cl)ccc2O)=N[C@@H]1[C@@H](O)[C@@H](O)C(=O)NC(CO)CO
InChIInChI=1S/C16H21ClN2O7/c1-7-12(13(23)14(24)15(25)18-9(5-20)6-21)19-16(26-7)10-4-8(17)2-3-11(10)22/h2-4,7,9,12-14,20-24H,5-6H2,1H3,(H,18,25)/t7-,12+,13-,14-/m1/s1
InChIKeyDQWZJXAZNNVHLN-DUDQEUOJSA-N
Species of MetaboliteComponentSourceComments
Leptolyngbyaspecies (ncbitaxon:47254) - PubMed (31591889)
ChEBI Ontology
Outgoing Relation(s)
Leptazoline B (CHEBI:210158) is a monochlorophenol (CHEBI:38857)
IUPAC Name 
(2R,3R)-3-[(4R,5R)-2-(5-chloro-2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]-N-(1,3-dihydroxypropan-2-yl)-2,3-dihydroxypropanamide