Structure Database (LMSD)

Common Name
Glyceofuran
Systematic Name
Synonyms
LM ID
LMPK12070111
Formula
C20H18O6
Exact Mass
Calculate m/z
354.11034
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Pterocarpans [PK1207]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
FLURXOFTUKXKQN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O6/c1-19(2,22)17-6-10-5-12-15(8-14(10)25-17)24-9-20(23)13-4-3-11(21)7-16(13)26-18(12)20/h3-8,18,21-23H,9H2,1-2H3
SMILES (Click to copy)
C12OC(C(O)(C)C)=CC1=CC1C3OC4=CC(O)=CC=C4C3(O)COC=1C=2

Other Databases

HMDB ID
HMDB0034111
METABOLOMICS ID
FLIDHXNF0005
PubChem CID
629096

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 5
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 305.22
Topological Polar Surface Area 94.59
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 3.18
Molar Refractivity 93.21

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Updated at
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