Structure Database (LMSD)

O O O O O O
Common Name
Arjunone
Systematic Name
Synonyms
LM ID
LMPK12140531
Formula
C19H20O6
Exact Mass
Calculate m/z
344.12599
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
ZCMZJXOFFVFREZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H20O6/c1-21-11-5-6-13(15(7-11)23-3)16-10-14(20)19-17(24-4)8-12(22-2)9-18(19)25-16/h5-9,16H,10H2,1-4H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C(OC)=CC(OC)=CC=3)CC(=O)C=2C(OC)=C1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2FALNS0002
PubChem CID
14034821

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 312.64
Topological Polar Surface Area 65.29
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 3.43
Molar Refractivity 91.41

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Updated at
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