Structure Database (LMSD)

Systematic Name
5,7-Dihydroxy-8-C-(γ-methyl-γ-formylallyl)flavanone
Synonyms
LM ID
LMPK12140169
Formula
C20H18O5
Exact Mass
Calculate m/z
338.115425
Status
Curated
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)
ZJSBETNMBPEILM-KPKJPENVSA-N
InChi (Click to copy)
InChI=1S/C20H18O5/c1-12(11-21)7-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)13-5-3-2-4-6-13/h2-7,9,11,18,22-23H,8,10H2,1H3/b12-7+
SMILES (Click to copy)
C1(O)=C(C/C=C(/C=O)\C)C2OC(C3C=CC=CC=3)CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL2FA9NI0006
PubChem CID
42607870

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 315.87
Topological Polar Surface Area 85.90
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 3.49
Molar Refractivity 92.06

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Updated at
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