Structure Database (LMSD)

Common Name
Exiguaflavanone L
Systematic Name
Synonyms
LM ID
LMPK12140120
Formula
C25H28O6
Exact Mass
Calculate m/z
424.18859
Status
Active
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)
VFMQTYFXQGAJKJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H28O6/c1-13(2)8-9-14-10-15-20(31-25(14,3)4)11-18(28)23-19(29)12-21(30-24(15)23)22-16(26)6-5-7-17(22)27/h5-8,11,14,21,26-28H,9-10,12H2,1-4H3
SMILES (Click to copy)
C1C2OC(C)(C)C(C/C=C(\C)/C)CC=2C2OC(C3C(O)=CC=CC=3O)CC(=O)C=2C=1O

Other Databases

CHEBI ID
185924
METABOLOMICS ID
FL2FA8NP0003
PubChem CID
42607848

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 401.44
Topological Polar Surface Area 100.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 5.48
Molar Refractivity 116.66

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Updated at
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