Structure Database (LMSD)

Common Name
Glabranin
Systematic Name
Synonyms
LM ID
LMPK12140164
Formula
C20H20O4
Exact Mass
Calculate m/z
324.13616
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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)
DAWSYIQAGQMLFS-SFHVURJKSA-N
InChi (Click to copy)
InChI=1S/C20H20O4/c1-12(2)8-9-14-15(21)10-16(22)19-17(23)11-18(24-20(14)19)13-6-4-3-5-7-13/h3-8,10,18,21-22H,9,11H2,1-2H3/t18-/m0/s1
SMILES (Click to copy)
C1(O)C(C/C=C(/C)\C)=C2O[C@]([H])(C3C=CC=CC=3)CC(=O)C2=C(O)C=1

Other Databases

KEGG ID
C09752
CHEBI ID
5368
METABOLOMICS ID
FL2FA9NI0001
PubChem CID
124049

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 309.72
Topological Polar Surface Area 68.83
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.31
Molar Refractivity 91.67

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Updated at
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