LIPID MAPS

Structure Database (LMSD)

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Common Name

Sydowinol

Systematic Name

Methyl 4,8-dihydroxy-6-(hydroxymethyl)-9-oxo-4,4a-dihydroxanthene-1-carboxylate

Synonyms

LM ID

LMPK13060005

Formula

C₁₆H₁₄O₇

Exact Mass

Calculate m/z

318.073955

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

JCHWTVUGTSYUOL-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C16H14O7/c1-22-16(21)8-2-3-9(18)15-12(8)14(20)13-10(19)4-7(6-17)5-11(13)23-15/h2-5,9,15,17-19H,6H2,1H3

SMILES (Click to copy)

C1(C(=O)OC)C=CC(O)C2OC3C=C(CO)C=C(O)C=3C(=O)C=12

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

Other Databases

PubChem CID

23843952

Calculated Physicochemical Properties

Heavy Atoms 23

Rings 3

Aromatic Rings 1

Rotatable Bonds 3

Van der Waals Molecular Volume 280.43

Topological Polar Surface Area 115.36

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 7

logP 0.80

Molar Refractivity 77.99

Admin

Created at

10th Jun 2022

Updated at