LIPID MAPS

Structure Database (LMSD)

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Common Name

Cis-Resveratrol

Systematic Name

cis-3,4',5-trihydroxystilbene

Synonyms

LM ID

LMPK13090060

Formula

C₁₄H₁₂O₃

Exact Mass

Calculate m/z

228.078645

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Vitis vinifera (#29760)

Magnoliopsida (#3398)

Isolation, identification, and antioxidant activity of three stilbene glucosides newly extracted from vitis vinifera cell cultures,
J Nat Prod, 1998

Pubmed ID: 9599270

String Representations

InChiKey (Click to copy)

LUKBXSAWLPMMSZ-UPHRSURJSA-N

InChi (Click to copy)

InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1-

SMILES (Click to copy)

C1=C(O)C=C(O)C=C1/C=C\C1=CC=C(O)C=C1

Other Databases

CHEBI ID

36002

PubChem CID

1548910

Calculated Physicochemical Properties

Heavy Atoms 17

Rings 2

Aromatic Rings 2

Rotatable Bonds 2

Van der Waals Molecular Volume 212.13

Topological Polar Surface Area 60.69

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 3

logP 2.97

Molar Refractivity 66.81

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Created at

13th Mar 2025

Updated at