Structure Database (LMSD)

Common Name
Luteolin 7-glucuronide-4'-rhamnoside
Systematic Name
Synonyms
LM ID
LMPK12110671
Formula
C27H28O16
Exact Mass
Calculate m/z
608.13774
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)
PYKXXYKNFWZUIX-ZHFACJDASA-N
InChi (Click to copy)
InChI=1S/C27H28O16/c1-8-18(31)19(32)22(35)26(39-8)42-14-3-2-9(4-11(14)28)15-7-13(30)17-12(29)5-10(6-16(17)41-15)40-27-23(36)20(33)21(34)24(43-27)25(37)38/h2-8,18-24,26-29,31-36H,1H3,(H,37,38)/t8-,18-,19+,20-,21-,22+,23+,24-,26-,27+/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O2)=CC2OC(C3C=C(O)C(O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)=CC=3)=CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL3FACGS0036
PubChem CID
102147850

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 5
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 498.04
Topological Polar Surface Area 270.41
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 16
logP 2.11
Molar Refractivity 144.41

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Created at
-
Updated at
25th Nov 2021