Structure Database (LMSD)

Common Name
Falciformin
Systematic Name
Synonyms
LM ID
LMPK12140100
Formula
C21H22O4
Exact Mass
Calculate m/z
338.15181
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)
XHMVNELCFXCQCN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H22O4/c1-13(22)21(2,3)20-17(24-4)11-10-16-19(20)15(23)12-18(25-16)14-8-6-5-7-9-14/h5-11,18,22H,1,12H2,2-4H3
SMILES (Click to copy)
C1=CC2OC(C3C=CC=CC=3)CC(=O)C=2C(C(C)(C)C(=C)O)=C1OC

Other Databases

METABOLOMICS ID
FL2F99NI0001
PubChem CID
14563011

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 327.02
Topological Polar Surface Area 57.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 4.75
Molar Refractivity 96.55

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Updated at
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