Structure Database (LMSD)

Common Name
Ovaliflavanone C
Systematic Name
Synonyms
LM ID
LMPK12140069
Formula
C21H20O5
Exact Mass
Calculate m/z
352.131075
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
PAUXUELQYNEFMK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H20O5/c1-12(2)3-5-14-16(22)7-6-15-17(23)10-19(26-21(14)15)13-4-8-18-20(9-13)25-11-24-18/h3-4,6-9,19,22H,5,10-11H2,1-2H3
SMILES (Click to copy)
C1(O)=C(C/C=C(\C)/C)C2OC(C3C=C4OCOC4=CC=3)CC(=O)C=2C=C1

Other Databases

CHEBI ID
185577
METABOLOMICS ID
FL2F1CNI0001
PubChem CID
42607824

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 323.45
Topological Polar Surface Area 71.20
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 4.34
Molar Refractivity 96.12

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Updated at
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