Structure Database (LMSD)

Common Name
Ovalitenin B
Systematic Name
Synonyms
LM ID
LMPK12120583
Formula
C19H18O4
Exact Mass
Calculate m/z
310.12051
Status
Curated
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)
AADNEQWIZKTMBL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O4/c1-21-18(13-6-4-3-5-7-13)12-16(20)14-8-9-17-15(10-11-23-17)19(14)22-2/h3-11,18H,12H2,1-2H3
SMILES (Click to copy)
C12OC=CC=1C(OC)=C(C(=O)CC(OC)C1C=CC=CC=1)C=C2

Other Databases

CHEBI ID
188338
METABOLOMICS ID
FL1DHYNF0001
PubChem CID
15160711

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 281.52
Topological Polar Surface Area 48.67
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 4.40
Molar Refractivity 87.91

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Updated at
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