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CHEBI:228885 - Lobetyolin

ChEBI IDCHEBI:228885
ChEBI NameLobetyolin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O8
Net Charge0
Average Mass396.436
Monoisotopic Mass396.17842
SMILESC/C=C/C#CC#CC(O)C(/C=C/CCCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C20H28O8/c1-2-3-4-5-7-10-14(23)15(11-8-6-9-12-21)27-20-19(26)18(25)17(24)16(13-22)28-20/h2-3,8,11,14-26H,6,9,12-13H2,1H3/b3-2+,11-8+/t14?,15?,16-,17-,18+,19-,20-/m1/s1
InChIKeyMMMUDYVKKPDZHS-UPPVCQNNSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Lobetyolin (CHEBI:228885) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(2R,3R,4S,5S,6R)-2-[(4E,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
24534044ChemSpider