Structure Database (LMSD)

Systematic Name
5,8-Dihydroxy-7-methoxyflavanone 8-O-acetate
Synonyms
LM ID
LMPK12140658
Formula
C18H16O6
Exact Mass
Calculate m/z
328.09469
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)
LXSSYOWDEYWICX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O6/c1-10(19)23-17-15(22-2)9-13(21)16-12(20)8-14(24-18(16)17)11-6-4-3-5-7-11/h3-7,9,14,21H,8H2,1-2H3
SMILES (Click to copy)
C1(OC)=C(OC(C)=O)C2OC(C3C=CC=CC=3)CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL2FF9NS0002
PubChem CID
13888644

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 292.70
Topological Polar Surface Area 84.13
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 3.03
Molar Refractivity 84.73

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Updated at
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