Structure Database (LMSD)

Common Name
Racemoflavone
Systematic Name
Synonyms
LM ID
LMPK12110796
Formula
C21H18O6
Exact Mass
Calculate m/z
366.11034
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)
AGOMJPUUTGWSSH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H18O6/c1-21(2)7-6-12-17(27-21)10-15(24)19-14(23)9-16(26-20(12)19)11-4-5-13(22)18(8-11)25-3/h4-10,22,24H,1-3H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OC(C3C=C(OC)C(O)=CC=3)=CC(=O)C=1C(O)=C2

Other Databases

METABOLOMICS ID
FL3FADNP0001
PubChem CID
14162622

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 4
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 318.70
Topological Polar Surface Area 91.20
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 5.25
Molar Refractivity 102.16

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Updated at
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