Structure Database (LMSD)

Common Name
Isognaphalin 8-acetate
Systematic Name
Synonyms
LM ID
LMPK12113101
Formula
C19H16O7
Exact Mass
Calculate m/z
356.089605
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)
BJTDZKOECBFYRI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H16O7/c1-10(20)25-17-13(23-2)9-12(21)14-15(22)19(24-3)16(26-18(14)17)11-7-5-4-6-8-11/h4-9,21H,1-3H3
SMILES (Click to copy)
C1(OC)=C(OC(C)=O)C2OC(C3C=CC=CC=3)=C(OC)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FF9NS0014
PubChem CID
44259917

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 305.25
Topological Polar Surface Area 95.20
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 4.01
Molar Refractivity 94.11

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Updated at
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