Structure Database (LMSD)

O O O O O
Common Name
O-Methylovaliflavanone C
Systematic Name
Synonyms
LM ID
LMPK12140071
Formula
C22H22O5
Exact Mass
Calculate m/z
366.146725
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

String Representations

InChiKey (Click to copy)
NNVYSMQXBRNCKE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H22O5/c1-13(2)4-6-16-18(24-3)9-7-15-17(23)11-20(27-22(15)16)14-5-8-19-21(10-14)26-12-25-19/h4-5,7-10,20H,6,11-12H2,1-3H3
SMILES (Click to copy)
C1C(OC)=C(C/C=C(/C)\C)C2OC(C3C=C4OCOC4=CC=3)CC(=O)C=2C=1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2F1CNI0003
PubChem CID
14033979

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 4
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 340.75
Topological Polar Surface Area 60.20
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 4.64
Molar Refractivity 101.01

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Updated at
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