Structure Database (LMSD)

Systematic Name
5,7,4'-Trihydroxy-3'-methoxy-6,8-di-C-methylflavanone
Synonyms
LM ID
LMPK12140445
Formula
C18H18O6
Exact Mass
Calculate m/z
330.11034
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)
QVDZTDYQDZOHRM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H18O6/c1-8-16(21)9(2)18-15(17(8)22)12(20)7-13(24-18)10-4-5-11(19)14(6-10)23-3/h4-6,13,19,21-22H,7H2,1-3H3
SMILES (Click to copy)
C1(O)=C(C)C2OC(C3C=C(OC)C(O)=CC=3)CC(=O)C=2C(O)=C1C

Other Databases

CHEBI ID
193334
METABOLOMICS ID
FL2FADNM0001
PubChem CID
20222511

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 295.34
Topological Polar Surface Area 98.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 3.14
Molar Refractivity 86.22

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Updated at
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