Structure Database (LMSD)

Systematic Name
5-Hydroxy-7-methoxy-6,8-di-C-methylflavanone
Synonyms
LM ID
LMPK12140193
Formula
C18H18O4
Exact Mass
Calculate m/z
298.12051
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)
KZNAGLGLKRUIPD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H18O4/c1-10-16(20)15-13(19)9-14(12-7-5-4-6-8-12)22-18(15)11(2)17(10)21-3/h4-8,14,20H,9H2,1-3H3
SMILES (Click to copy)
C1(OC)=C(C)C2OC(C3C=CC=CC=3)CC(=O)C=2C(O)=C1C

Other Databases

METABOLOMICS ID
FL2FA9NM0007
PubChem CID
369596

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 277.76
Topological Polar Surface Area 57.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 3.72
Molar Refractivity 82.89

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Updated at
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