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CHEBI:228914 - Toddalolactone

ChEBI IDCHEBI:228914
ChEBI NameToddalolactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O6
Net Charge0
Average Mass308.330
Monoisotopic Mass308.12599
SMILESCOc1cc2oc(=O)ccc2c(OC)c1C[C@@H](O)C(C)(C)O
InChIInChI=1S/C16H20O6/c1-16(2,19)13(17)7-10-11(20-3)8-12-9(15(10)21-4)5-6-14(18)22-12/h5-6,8,13,17,19H,7H2,1-4H3/t13-/m1/s1
InChIKeyGLWPLQBQHWYKRK-CYBMUJFWSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Toddalolactone (CHEBI:228914) is a coumarins (CHEBI:23403)
IUPAC Name 
6-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one
Manual XrefsDatabases
141027ChemSpider