Toddalolactone (CHEBI:228914)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Toddalolactone

ChEBI ID	CHEBI:228914

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H20O6

Net Charge

Average Mass

308.330

Monoisotopic Mass

308.12599

InChI

InChI=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

InChIKey

GLWPLQBQHWYKRK-CYBMUJFWSA-N

SMILES

OC([C@H](O)CC=1C(OC)=C2C(OC(=O)C=C2)=CC1OC)(C)C

Metabolite of Species	Details
Zea mays (NCBI:txid4577)	Found in exometabolome See: MetaboLights Study

ChEBI Ontology
Outgoing	Toddalolactone (CHEBI:228914) is a coumarins (CHEBI:23403)

IUPAC Name

6-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one