Structure Database (LMSD)

Common Name
Licuroside
Systematic Name
Synonyms
LM ID
LMPK12120023
Formula
C26H30O13
Exact Mass
Calculate m/z
550.168645
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
VMMVZVPAYFZNBM-FPYGCLRLSA-N
InChi (Click to copy)
InChI=1S/C26H30O13/c27-10-19-20(32)21(33)22(39-25-23(34)26(35,11-28)12-36-25)24(38-19)37-15-5-1-13(2-6-15)3-8-17(30)16-7-4-14(29)9-18(16)31/h1-9,19-25,27-29,31-35H,10-12H2/b8-3+
SMILES (Click to copy)
C1(O)C=CC(C(=O)/C=C/C2C=CC(OC3C(OC4OCC(CO)(O)C4O)C(O)C(O)C(CO)O3)=CC=2)=C(O)C=1

Other Databases

HMDB ID
HMDB0040728
CHEBI ID
193222
METABOLOMICS ID
FL1C1AGS0004
PubChem CID
6475724

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 4
Aromatic Rings 2
Rotatable Bonds 9
Van der Waals Molecular Volume 480.27
Topological Polar Surface Area 219.97
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 13
logP 1.78
Molar Refractivity 136.19

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Updated at
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