Structure Database (LMSD)

Common Name
Rhamnetin 3-alpha-L-arabinopyranoside
Systematic Name
Synonyms
LM ID
LMPK12112612
Formula
Exact Mass
Calculate m/z
448.100565
Status
Curated

Classification

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
KUFSJZPHCKXVTN-IMYKZHQLSA-N
InChi (Click to copy)
InChI=1S/C21H20O11/c1-29-9-5-12(24)15-14(6-9)31-19(8-2-3-10(22)11(23)4-8)20(17(15)27)32-21-18(28)16(26)13(25)7-30-21/h2-6,13,16,18,21-26,28H,7H2,1H3/t13-,16-,18+,21-/m0/s1
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)CO3)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 365.29
Topological Polar Surface Area 181.35
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 11
logP 2.73
Molar Refractivity 110.50

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Created at
-
Updated at
4th Jan 2022