Structure Database (LMSD)

Common Name
Kaempferol 3-(3''-acetyl-alpha-L-arabinofuranoside)-7-rhamnoside
Systematic Name
Synonyms
LM ID
LMPK12111900
Formula
C28H30O15
Exact Mass
Calculate m/z
606.158475
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)
MNRMSQIWNSFWSH-DQURVDMQSA-N
InChi (Click to copy)
InChI=1S/C28H30O15/c1-10-19(33)21(35)22(36)27(38-10)40-14-7-15(32)18-16(8-14)41-24(12-3-5-13(31)6-4-12)26(20(18)34)43-28-23(37)25(39-11(2)30)17(9-29)42-28/h3-8,10,17,19,21-23,25,27-29,31-33,35-37H,9H2,1-2H3/t10-,17-,19-,21+,22+,23+,25-,27-,28-/m0/s1
SMILES (Click to copy)
C1(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@@H]3O[C@@H](CO)[C@H](OC(C)=O)[C@H]3O)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FAAGS0064
PubChem CID
44258970

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 5
Aromatic Rings 3
Rotatable Bonds 8
Van der Waals Molecular Volume 506.55
Topological Polar Surface Area 239.18
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 15
logP 3.23
Molar Refractivity 147.37

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Updated at
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