Structure Database (LMSD)

Common Name
Grandiflorone
Systematic Name
Synonyms
LM ID
LMPK12120595
Formula
C19H22O4
Exact Mass
Calculate m/z
314.15181
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
KUWGTESSHWPSOB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H22O4/c1-18(2)15(21)14(16(22)19(3,4)17(18)23)13(20)11-10-12-8-6-5-7-9-12/h5-9,21H,10-11H2,1-4H3
SMILES (Click to copy)
C1(=O)C(C)(C)C(=O)C(C(=O)CCC2C=CC=CC=2)=C(O)C1(C)C

Other Databases

CHEBI ID
137843
METABOLOMICS ID
FL1DQUNM0002
PubChem CID
3014646

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 2
Aromatic Rings 1
Rotatable Bonds 4
Van der Waals Molecular Volume 318.32
Topological Polar Surface Area 71.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 3.20
Molar Refractivity 87.00

Admin

Created at
-
Updated at
-