Structure Database (LMSD)

Common Name
Okanin 4'-alpha-L-arabinofuranosyl-(1->4)-glucoside
Systematic Name
Synonyms
LM ID
LMPK12120165
Status
Active
Exact Mass
Calculate m/z
582.158475
Formula
C26H30O15
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
SEQPKCVUFRCYSE-DAFODLJHSA-N
InChi (Click to copy)
InChI=1S/C26H30O15/c27-8-16-20(34)22(36)26(39-16)41-24-17(9-28)40-25(23(37)21(24)35)38-15-6-3-11(18(32)19(15)33)12(29)4-1-10-2-5-13(30)14(31)7-10/h1-7,16-17,20-28,30-37H,8-9H2/b4-1+
SMILES (Click to copy)
C1(OC2C(O)C(O)C(OC3C(O)C(O)C(CO)O3)C(CO)O2)C=CC(C(=O)/C=C/C2C=CC(O)=C(O)C=2)=C(O)C=1O

References

Taxonomy Information

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

Other Databases

CHEBI ID
168928
METABOLOMICS ID
FL1C3CGS0011
PubChem CID
42607568

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 4
Aromatic Rings 2
Rotatable Bonds 9
Van der Waals Molecular Volume 497.85
Topological Polar Surface Area 260.43
Hydrogen Bond Donors 10
Hydrogen Bond Acceptors 15
logP 1.19
Molar Refractivity 139.52

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Updated at
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