Structure Database (LMSD)

Systematic Name
5,7,3',4'-Tetrahydroxy-6-C-methylflavanone 7-O-glucoside
Synonyms
LM ID
LMPK12140357
Formula
C22H24O11
Exact Mass
Calculate m/z
464.131865
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)
FTKJSZFYBZXIDP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H24O11/c1-8-13(32-22-21(30)20(29)19(28)16(7-23)33-22)6-15-17(18(8)27)12(26)5-14(31-15)9-2-3-10(24)11(25)4-9/h2-4,6,14,16,19-25,27-30H,5,7H2,1H3
SMILES (Click to copy)
C1(OC2OC(CO)C(O)C(O)C2O)=CC2OC(C3C=C(O)C(O)=CC=3)CC(=O)C=2C(O)=C1C

Other Databases

CHEBI ID
185476
METABOLOMICS ID
FL2FACGM0001
PubChem CID
42607964

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 396.13
Topological Polar Surface Area 190.51
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 11
logP 1.71
Molar Refractivity 112.38

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Updated at
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