LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

Sydowinin A

Systematic Name

methyl-1-hydroxy-3-hydroxymethyl-xanthone-8-carboxylate

Synonyms

LM ID

LMPK13060004

Formula

C₁₆H₁₂O₆

Exact Mass

Calculate m/z

300.06339

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Aspergillus sydowii (#75750)

Eurotiomycetes (#147545)

Structure of Sydowinin A, Sydowinin B, and Sydowinol, Metabolites from Aspergillus sydowi,
Biosci Biotech Biochem, 1975

DOI: 10.1080/00021369.1975.10861955

String Representations

InChiKey (Click to copy)

UBYOEDLUKKPPPN-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C16H12O6/c1-21-16(20)9-3-2-4-11-13(9)15(19)14-10(18)5-8(7-17)6-12(14)22-11/h2-6,17-18H,7H2,1H3

SMILES (Click to copy)

C1(C(=O)OC)=CC=CC2OC3C=C(CO)C=C(O)C=3C(=O)C1=2

Other Databases

CHEBI ID

68227

PubChem CID

23872092

Calculated Physicochemical Properties

Heavy Atoms 22

Rings 3

Aromatic Rings 3

Rotatable Bonds 3

Van der Waals Molecular Volume 247.20

Topological Polar Surface Area 96.97

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 6

logP 2.83

Molar Refractivity 79.03

Admin

Created at

10th Jun 2022

Updated at