Structure Database (LMSD)

Common Name
Maackiaflavanone
Systematic Name
Synonyms
LM ID
LMPK12140487
Formula
C26H30O6
Exact Mass
Calculate m/z
438.20424
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)
DVNXMSLAHMVXOH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H30O6/c1-14(2)6-8-16-10-18(20(28)11-19(16)27)24-13-22(30)25-21(29)12-23(31-5)17(26(25)32-24)9-7-15(3)4/h6-7,10-12,24,27-29H,8-9,13H2,1-5H3
SMILES (Click to copy)
C1C(OC)=C(C/C=C(\C)/C)C2OC(C3C(O)=CC(O)=C(C/C=C(\C)/C)C=3)CC(=O)C=2C=1O

Other Databases

METABOLOMICS ID
FL2FALNI0026
PubChem CID
42608032

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 428.46
Topological Polar Surface Area 98.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 5.54
Molar Refractivity 123.02

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Updated at
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