Structure Database (LMSD)

Common Name
Carajuflavone
Systematic Name
Synonyms
LM ID
LMPK12111245
Formula
C16H12O7
Exact Mass
Calculate m/z
316.058305
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)
CDCVPVHYGWRUCI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O7/c1-22-16-14-10(19)5-12(7-2-3-8(17)9(18)4-7)23-13(14)6-11(20)15(16)21/h2-6,17-18,20-21H,1H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC(O)=C(O)C=3)OC=1C=C(O)C(O)=C2OC

Other Databases

METABOLOMICS ID
FL3FECNS0019
PubChem CID
9879941

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 255.99
Topological Polar Surface Area 120.36
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 3.19
Molar Refractivity 81.24

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Updated at
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