Structure Database (LMSD)

Systematic Name
7,3',4'-Trihydroxy-5-methoxy-6-C-methylflavanone 7-O-glucoside
Synonyms
LM ID
LMPK12140558
Formula
C23H26O11
Exact Mass
Calculate m/z
478.147515
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)
DYRNKQIDEAXXHP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H26O11/c1-9-14(33-23-21(30)20(29)19(28)17(8-24)34-23)7-16-18(22(9)31-2)13(27)6-15(32-16)10-3-4-11(25)12(26)5-10/h3-5,7,15,17,19-21,23-26,28-30H,6,8H2,1-2H3
SMILES (Click to copy)
C1(OC2OC(CO)C(O)C(O)C2O)=CC2OC(C3C=C(O)C(O)=CC=3)CC(=O)C=2C(OC)=C1C

Other Databases

CHEBI ID
186342
METABOLOMICS ID
FL2FBCGM0001
PubChem CID
42608064

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 4
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 413.43
Topological Polar Surface Area 179.51
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 11
logP 2.02
Molar Refractivity 117.26

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Updated at
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