LIPID MAPS

Structure Database (LMSD)

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Common Name

Dihydromyricetin

Systematic Name

Synonyms

LM ID

LMPK12113405

Formula

C₁₅H₁₂O₈

Exact Mass

Calculate m/z

320.05322

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Nekemias grossedentata (#416090)

Magnoliopsida (#3398)

Optimizing the Maximum Recovery of Dihydromyricetin from Chinese Vine Tea, Ampelopsis grossedentata, Using Response Surface Methodology.,
Molecules, 2017

Pubmed ID: 29258286

DOI: 10.3390/molecules22122250

String Representations

InChiKey (Click to copy)

KJXSIXMJHKAJOD-LSDHHAIUSA-N

InChi (Click to copy)

InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1

SMILES (Click to copy)

C1(O)C=C2O[C@H](C3=CC(O)=C(O)C(O)=C3)[C@@H](O)C(=O)C2=C(O)C=1

Other Databases

KEGG ID

C02906

CHEBI ID

28429

PubChem CID

161557

Calculated Physicochemical Properties

Heavy Atoms 23

Rings 3

Aromatic Rings 2

Rotatable Bonds 1

Van der Waals Molecular Volume 261.02

Topological Polar Surface Area 149.75

Hydrogen Bond Donors 6

Hydrogen Bond Acceptors 8

logP 1.18

Molar Refractivity 75.43

Admin

Created at

8th Jun 2021

Updated at