Structure Database (LMSD)

Common Name
Saltillin
Systematic Name
Synonyms
LM ID
LMPK12110106
Formula
C17H14O4
Exact Mass
Calculate m/z
282.08921
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
BSEYWXDBSOCPQP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O4/c1-10-7-13(18)17-14(19)9-15(21-16(17)8-10)11-3-5-12(20-2)6-4-11/h3-9,18H,1-2H3
SMILES (Click to copy)
C1(C)=CC2OC(C3C=CC(OC)=CC=3)=CC(=O)C=2C(O)=C1

Other Databases

CHEBI ID
185111
METABOLOMICS ID
FL3F9ANM0001
PubChem CID
5378171

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 246.92
Topological Polar Surface Area 59.67
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 4.38
Molar Refractivity 80.98

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Updated at
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