Structure Database (LMSD)

Common Name
Sainfuran
Systematic Name
Synonyms
LM ID
LMPK12160040
Formula
C16H14O5
Exact Mass
Calculate m/z
286.084125
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Other Flavonoids [PK1216]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
BVSPXSLCUKWRNP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H14O5/c1-19-10-3-4-11(12(17)7-10)15-6-9-5-13(18)16(20-2)8-14(9)21-15/h3-8,17-18H,1-2H3
SMILES (Click to copy)
C12OC(C3C=CC(OC)=CC=3O)=CC=1C=C(O)C(OC)=C2

Other Databases

KEGG ID
C08974
CHEBI ID
8998
METABOLOMICS ID
FLII1CNS0001
PubChem CID
185034

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 241.05
Topological Polar Surface Area 72.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 3.53
Molar Refractivity 78.08

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Updated at
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