Structure Database (LMSD)

Common Name
Ovalitenone
Systematic Name
Synonyms
LM ID
LMPK12120372
Formula
C19H14O6
Exact Mass
Calculate m/z
338.07904
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
SDJBCBKWKASUCJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H14O6/c1-22-19-12(3-5-16-13(19)6-7-23-16)15(21)9-14(20)11-2-4-17-18(8-11)25-10-24-17/h2-8H,9-10H2,1H3
SMILES (Click to copy)
C12OC=CC1=C(OC)C(C(=O)CC(=O)C1C=CC3OCOC=3C=1)=CC=2

Other Databases

HMDB ID
HMDB0030619
CHEBI ID
175301
METABOLOMICS ID
FL1CHYNF0002
PubChem CID
627910

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 4
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 284.10
Topological Polar Surface Area 79.11
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 3.63
Molar Refractivity 88.61

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Updated at
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