LIPID MAPS

Structure Database (LMSD)

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Common Name

Symplocosidin

Systematic Name

(2R,3R)-3,5,7,4'-Tetrahydroxy-3'-methoxyflavan

Synonyms

LM ID

LMPK12020111

Formula

C₁₆H₁₆O₆

Exact Mass

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304.09469

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

View NP-MRD ID(NMR) spectrum

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Viridiplantae (#33090)

Flavonoid imported from http://metabolomics.jp/

Symplocos uniflora (#335935)

Magnoliopsida (#3398)

Symplocoside, a flavanol glycoside from Symplocos uniflora,
Phytochemistry, 1980

DOI: 10.1016/S0031-9422(00)83821-2

String Representations

InChiKey (Click to copy)

NJHJXXLBWQXMRO-CZUORRHYSA-N

InChi (Click to copy)

InChI=1S/C16H16O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16-/m1/s1

SMILES (Click to copy)

C1(O)C=C2O[C@H](C3C=C(OC)C(O)=CC=3)[C@H](O)CC2=C(O)C=1

Other Databases

HMDB ID

HMDB0029175

CHEBI ID

70254

METABOLOMICS ID

FL63ADNS0001

PubChem CID

11420256

Calculated Physicochemical Properties

Heavy Atoms 22

Rings 3

Aromatic Rings 2

Rotatable Bonds 2

Van der Waals Molecular Volume 263.38

Topological Polar Surface Area 101.45

Hydrogen Bond Donors 4

Hydrogen Bond Acceptors 6

logP 2.14

Molar Refractivity 78.02

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Created at

Updated at

18th May 2025