Structure Database (LMSD)

Common Name
6-Hydroxyluteolin 7,3'-dimethyl ether 6-glucoside
Systematic Name
Synonyms
LM ID
LMPK12111205
Formula
C23H24O12
Exact Mass
Calculate m/z
492.12678
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
ABISKBDTONDAOJ-RWMNSCGUSA-N
InChi (Click to copy)
InChI=1S/C23H24O12/c1-31-13-5-9(3-4-10(13)25)12-6-11(26)17-14(33-12)7-15(32-2)22(19(17)28)35-23-21(30)20(29)18(27)16(8-24)34-23/h3-7,16,18,20-21,23-25,27-30H,8H2,1-2H3/t16-,18-,20+,21-,23+/m1/s1
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=C(OC)C(O)=CC=3)=CC(=O)C=2C(O)=C1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1

Other Databases

METABOLOMICS ID
FL3FECGS0032
PubChem CID
44258504

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
19th Nov 2021