Structure Database (LMSD)

Common Name
Heteroflavanone A
Systematic Name
Synonyms
LM ID
LMPK12140534
Formula
C19H20O7
Exact Mass
Calculate m/z
360.120905
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Biological Context

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
JEXUYOSYJIRTIF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H20O7/c1-22-10-5-12(20)18-13(21)9-17(26-16(18)8-10)19-14(24-3)6-11(23-2)7-15(19)25-4/h5-8,17,20H,9H2,1-4H3
SMILES (Click to copy)
C1C(OC)=CC2OC(C3C(OC)=CC(OC)=CC=3OC)CC(=O)C=2C=1O

Other Databases

HMDB ID
HMDB0040910
CHEBI ID
175619
METABOLOMICS ID
FL2FALNS0005
PubChem CID
42608055

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 321.43
Topological Polar Surface Area 85.52
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 3.13
Molar Refractivity 93.07

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Updated at
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