Structure Database (LMSD)

OH O OH O OH HO HO O O OH O O
Common Name
Hypolaetin 7,3'-dimethyl ether 4'-glucoside
Systematic Name
Synonyms
LM ID
LMPK12111392
Formula
C23H24O12
Exact Mass
Calculate m/z
492.12678
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

String Representations

InChiKey (Click to copy)
MUYUXRCXXQJUIP-FZFRBNDOSA-N
InChi (Click to copy)
InChI=1S/C23H24O12/c1-31-14-5-9(3-4-12(14)34-23-21(30)20(29)18(27)16(8-24)35-23)13-6-10(25)17-11(26)7-15(32-2)19(28)22(17)33-13/h3-7,16,18,20-21,23-24,26-30H,8H2,1-2H3/t16-,18-,20+,21-,23-/m1/s1
SMILES (Click to copy)
C1C=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C(OC)=CC=1C1=CC(=O)C2C(O)=CC(OC)=C(O)C=2O1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

METABOLOMICS ID
FL3FFCGS0024
PubChem CID
44258610

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 4
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 408.68
Topological Polar Surface Area 190.58
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 12
logP 2.68
Molar Refractivity 121.91

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Created at
-
Updated at
22nd Dec 2021