CHEBI:191610 - Tomenin

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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 Tomenin
ChEBI ID CHEBI:191610
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H20O10
Net Charge 0
Average Mass 384.337
Monoisotopic Mass 384.10565
InChI InChI=1S/C17H20O10/c1-23-9-5-8-7(3-4-11(19)25-8)15(16(9)24-2)27-17-14(22)13(21)12(20)10(6-18)26-17/h3-5,10,12-14,17-18,20-22H,6H2,1-2H3/t10-,12-,13+,14-,17+/m1/s1
InChIKey DHNNEMKGTXETQO-HFVZKWEFSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C3C(OC(=O)C=C3)=CC(OC)=C2OC)CO
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
ChEBI Ontology
Outgoing Tomenin (CHEBI:191610) is a coumarins (CHEBI:23403)
Tomenin (CHEBI:191610) is a glycoside (CHEBI:24400)
IUPAC Name
6,7-dimethoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Manual Xref Database
103884762 ChemSpider
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