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CHEBI:209587 - Letendronol A

ChEBI IDCHEBI:209587
ChEBI NameLetendronol A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O4
Net Charge0
Average Mass228.288
Monoisotopic Mass228.13616
SMILESCCC[C@@H]1OCC2=C([C@H]1O)[C@@H](O)CC[C@@H]2O
InChIInChI=1S/C12H20O4/c1-2-3-10-12(15)11-7(6-16-10)8(13)4-5-9(11)14/h8-10,12-15H,2-6H2,1H3/t8-,9-,10-,12-/m0/s1
InChIKeySYHQBGLUCBOBKM-GMOBBJLQSA-N
Species of MetaboliteComponentSourceComments
Letendraea (ncbitaxon:147565) - PubMed (31878313)
ChEBI Ontology
Outgoing Relation(s)
Letendronol A (CHEBI:209587) is a benzopyran (CHEBI:22727)
IUPAC Name 
(3S,4R,5S,8S)-3-propyl-3,4,5,6,7,8-hexahydro-1H-isochromene-4,5,8-triol
Manual XrefsDatabases
81367019ChemSpider