Structure Database (LMSD)

Common Name
Viscumiside A
Systematic Name
Synonyms
LM ID
LMPK12140435
Formula
C22H24O11
Exact Mass
Calculate m/z
464.131865
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)
KZQCCKUDYVSOLC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H24O11/c1-30-15-4-9(2-3-11(15)24)14-7-13(26)18-12(25)5-10(6-16(18)32-14)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,14,17,19-25,27-29H,7-8H2,1H3
SMILES (Click to copy)
C1C(OC2OC(CO)C(O)C(O)C2O)=CC2OC(C3C=C(OC)C(O)=CC=3)CC(=O)C=2C=1O

Other Databases

METABOLOMICS ID
FL2FADGS0002
PubChem CID
14035424

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 396.13
Topological Polar Surface Area 179.51
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 11
logP 1.71
Molar Refractivity 112.53

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Updated at
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