Structure Database (LMSD)

Common Name
Luteolin 7-galactosyl-(1->6)-galactoside
Systematic Name
Synonyms
LM ID
LMPK12110699
Formula
C27H30O16
Exact Mass
Calculate m/z
610.15339
Status
Active
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)
LDTDRTSKWGQBAA-GJRFWMTHSA-N
InChi (Click to copy)
InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-8-18-21(34)23(36)25(38)27(43-18)40-10-4-13(31)19-14(32)6-15(41-16(19)5-10)9-1-2-11(29)12(30)3-9/h1-6,17-18,20-31,33-38H,7-8H2/t17-,18-,20+,21+,22+,23+,24-,25-,26-,27-/m1/s1
SMILES (Click to copy)
O1C2=C(C(O)=CC(O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO[C@H]4[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O4)O3)=C2)C(=O)C=C1C1C=C(O)C(O)=CC=1

Other Databases

METABOLOMICS ID
FL3FACGS0064
PubChem CID
102148764

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 5
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 500.68
Topological Polar Surface Area 273.57
Hydrogen Bond Donors 10
Hydrogen Bond Acceptors 16
logP 1.91
Molar Refractivity 146.15

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Created at
-
Updated at
13th Dec 2021