Structure Database (LMSD)

Common Name
Lanceolatin A
Systematic Name
Synonyms
LM ID
LMPK12110019
Formula
C21H20O4
Exact Mass
Calculate m/z
336.13616
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
GWHQUBFEZSVTKH-VAWYXSNFSA-N
InChi (Click to copy)
InChI=1S/C21H20O4/c1-21(2,23)12-11-16-18(24-3)10-9-15-17(22)13-19(25-20(15)16)14-7-5-4-6-8-14/h4-13,23H,1-3H3/b12-11+
SMILES (Click to copy)
C1(OC)=C(/C=C/C(O)(C)C)C2OC(C3C=CC=CC=3)=CC(=O)C=2C=C1

Other Databases

CHEBI ID
180250
METABOLOMICS ID
FL3F19NI0001
PubChem CID
6442389

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 313.48
Topological Polar Surface Area 59.67
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 5.44
Molar Refractivity 100.42

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Updated at
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