Structure Database (LMSD)

Common Name
Carpachromene dimethyl ether
Systematic Name
Synonyms
  • Di-O-methylcarpachromene
LM ID
LMPK12110959
Formula
C22H20O5
Exact Mass
Calculate m/z
364.131075
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)
SLFBWUSMSGUNQP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H20O5/c1-22(2)10-9-15-18(27-22)12-19-20(21(15)25-4)16(23)11-17(26-19)13-5-7-14(24-3)8-6-13/h5-12H,1-4H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC(OC)=CC=3)OC=1C=C1OC(C)(C)C=CC1=C2OC

Other Databases

CHEBI ID
187698
METABOLOMICS ID
FL3FBBNP0001
PubChem CID
14607844

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 327.21
Topological Polar Surface Area 59.97
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 5.85
Molar Refractivity 105.39

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Updated at
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