Structure Database (LMSD)

OH OH HO HO OH O O OH O O
Systematic Name
7,3',4',5'-Tetrahydroxyflavone 7-rhamnoside
Synonyms
LM ID
LMPK12110049
Formula
C21H20O10
Exact Mass
Calculate m/z
432.10565
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)
HERGIJJZSPGDKP-ZOOKWPDTSA-N
InChi (Click to copy)
InChI=1S/C21H20O10/c1-8-17(25)19(27)20(28)21(29-8)30-10-2-3-11-12(22)7-15(31-16(11)6-10)9-4-13(23)18(26)14(24)5-9/h2-8,17,19-21,23-28H,1H3/t8-,17-,19+,20+,21-/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)=CC2OC(C3C=C(O)C(O)=C(O)C=3)=CC(=O)C=2C=C1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL3F1GGS0001
PubChem CID
44257578

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 356.50
Topological Polar Surface Area 172.12
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 10
logP 3.11
Molar Refractivity 108.57

Admin

Created at
-
Updated at
28th Nov 2021