Structure Database (LMSD)

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
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Aromatic polyketides [PK13]
Dibenzofurans, griseofulvins, dibenzopyrans and xanthones [PK1306]

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

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

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

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Created at
10th Jun 2022
Updated at
10th Jun 2022