Structure Database (LMSD)

Common Name
Dasytrichone
Systematic Name
Synonyms
LM ID
LMPK12111508
Formula
C18H16O4
Exact Mass
Calculate m/z
296.10486
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)
VOEVEGYLKQKGLZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O4/c1-10-15(20)14-12(19)9-13(11-7-5-4-6-8-11)22-17(14)18(2,3)16(10)21/h4-9,20H,1-3H3
SMILES (Click to copy)
C1(=O)C(C)(C)C2OC(C3C=CC=CC=3)=CC(=O)C=2C(O)=C1C

Other Databases

KEGG ID
C10035
CHEBI ID
4327
METABOLOMICS ID
FL3FQUNM0001
PubChem CID
442586

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 275.12
Topological Polar Surface Area 67.51
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 4.36
Molar Refractivity 83.78

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Updated at
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