Structure Database (LMSD)

Common Name
Sydowinin B
Systematic Name
methyl-1,7-dihydroxy-3-hydroxymethyl-xanthone-8-carboxylate
Synonyms
LM ID
LMPK13060003
Formula
C16H12O7
Exact Mass
Calculate m/z
316.058305
Status
Active
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)
SSBSKLSIZKVBFF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O7/c1-22-16(21)13-8(18)2-3-10-14(13)15(20)12-9(19)4-7(6-17)5-11(12)23-10/h2-5,17-19H,6H2,1H3
SMILES (Click to copy)
C1(C(=O)OC)=C(O)C=CC2OC3C=C(CO)C=C(O)C=3C(=O)C1=2

Other Databases

CHEBI ID
68228
PubChem CID
45359153

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 255.99
Topological Polar Surface Area 117.20
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 2.54
Molar Refractivity 80.69

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