Structure Database (LMSD)

Common Name
Dinklagin B
Systematic Name
Synonyms
LM ID
LMPK12110427
Formula
C20H18O6
Exact Mass
Calculate m/z
354.11034
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
FJVQQAWOOLFVQM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O6/c1-20(2)17(23)7-12-15(26-20)9-16-18(19(12)24)13(22)8-14(25-16)10-3-5-11(21)6-4-10/h3-6,8-9,17,21,23-24H,7H2,1-2H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC(O)=CC=3)OC=1C=C1OC(C)(C)C(O)CC1=C2O

Other Databases

CHEBI ID
193280
METABOLOMICS ID
FL3FAANP0008
PubChem CID
44257869

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 304.04
Topological Polar Surface Area 102.20
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 4.42
Molar Refractivity 96.80

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Updated at
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