Structure Database (LMSD)

Common Name
Hesperetin 7-O-rhamnoside
Systematic Name
5,7,3'-Trihydroxy-4'-methoxyflavanone 7-O-rhamnoside
Synonyms
LM ID
LMPK12140379
Formula
C22H24O10
Exact Mass
Calculate m/z
448.13695
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
SVQOEFMFPWOSRE-TTXDTJCDSA-N
InChi (Click to copy)
InChI=1S/C22H24O10/c1-9-19(26)20(27)21(28)22(30-9)31-11-6-13(24)18-14(25)8-16(32-17(18)7-11)10-3-4-15(29-2)12(23)5-10/h3-7,9,16,19-24,26-28H,8H2,1-2H3/t9-,16-,19-,20+,21+,22-/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)=CC2O[C@H](C3C=C(O)C(OC)=CC=3)CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL2FAEGS0005
PubChem CID
101103673

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 387.34
Topological Polar Surface Area 159.28
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 10
logP 2.45
Molar Refractivity 110.63

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Created at
-
Updated at
13th Apr 2022