Structure Database (LMSD)

Common Name
Ovalichromene A
Systematic Name
Synonyms
LM ID
LMPK12140085
Formula
C22H20O6
Exact Mass
Calculate m/z
380.12599
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
DEXCLCXZBFTTDI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H20O6/c1-22(2)7-6-13-20-14(9-19(24-3)21(13)28-22)15(23)10-17(27-20)12-4-5-16-18(8-12)26-11-25-16/h4-9,17H,10-11H2,1-3H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OC(C3C=C4OCOC4=CC=3)CC(=O)C=1C=C2OC

Other Databases

METABOLOMICS ID
FL2F2CNP0001
PubChem CID
42607831

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 5
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 337.18
Topological Polar Surface Area 71.50
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 4.60
Molar Refractivity 102.13

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Updated at
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