Structure Database (LMSD)

Common Name
Torosaflavone D
Systematic Name
Synonyms
LM ID
LMPK12110823
Formula
C19H14O8
Exact Mass
Calculate m/z
370.06887
Status
Curated
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)
YGQFRAJVEBXHHA-HWKANZROSA-N
InChi (Click to copy)
InChI=1S/C19H14O8/c1-26-14-4-2-9(6-12(14)21)15-8-13(22)18-16(27-15)7-11(20)10(19(18)25)3-5-17(23)24/h2-8,20-21,25H,1H3,(H,23,24)/b5-3+
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC(OC)=C(O)C=3)OC=1C=C(O)C(/C=C/C(O)=O)=C2O

Other Databases

METABOLOMICS ID
FL3FAENI0001
PubChem CID
15735795

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 311.40
Topological Polar Surface Area 137.43
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
logP 3.58
Molar Refractivity 96.24

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