Structure Database (LMSD)

Common Name
Linderoflavone A
Systematic Name
Synonyms
LM ID
LMPK12111480
Formula
C18H14O8
Exact Mass
Calculate m/z
358.06887
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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)
QFVKOJSHXTWDPB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H14O8/c1-22-17-14(20)13-9(19)6-11(26-16(13)18(23-2)15(17)21)8-3-4-10-12(5-8)25-7-24-10/h3-6,20-21H,7H2,1-2H3
SMILES (Click to copy)
C1(O)=C(OC)C2OC(C3C=CC4OCOC=4C=3)=CC(=O)C=2C(O)=C1OC

Other Databases

METABOLOMICS ID
FL3FGCNS0013
PubChem CID
44258651

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 287.02
Topological Polar Surface Area 111.73
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
logP 3.52
Molar Refractivity 90.58

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Updated at
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