Structure Database (LMSD)

Common Name
6-Methoxypulcherrimin
Systematic Name
Synonyms
LM ID
LMPK12113394
Formula
C19H14O8
Exact Mass
Calculate m/z
370.06887
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)
KRPNMZQYEXAVOD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H14O8/c1-22-12-5-11-13(14(20)18(12)23-2)15(21)19-17(27-11)8-3-4-10-16(26-7-25-10)9(8)6-24-19/h3-5,20H,6-7H2,1-2H3
SMILES (Click to copy)
C1(OC)=CC2OC3C4C=CC5OCOC=5C=4COC=3C(=O)C=2C(O)=C1OC

Other Databases

METABOLOMICS ID
FL5FPTNS0008
PubChem CID
44260092

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 5
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 291.96
Topological Polar Surface Area 102.80
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
logP 3.70
Molar Refractivity 93.25

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Updated at
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