Structure Database (LMSD)

Common Name
Louisfieserone A
Systematic Name
Synonyms
LM ID
LMPK12140697
Formula
C22H24O5
Exact Mass
Calculate m/z
368.162375
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)
NZANVYUIDHOMEY-HZOCRMPBSA-N
InChi (Click to copy)
InChI=1S/C22H24O5/c1-19(2)15-11-26-21(4)18(24)20(19,3)17-16(22(15,21)25)13(23)10-14(27-17)12-8-6-5-7-9-12/h5-9,14-15,25H,10-11H2,1-4H3/t14-,15?,20+,21-,22+/m0/s1
SMILES (Click to copy)
C1(=O)[C@@]2(C(C)(C)C3[C@@](O)(C4C(=O)C[C@@H](C5C=CC=CC=5)OC=42)[C@]1(OC3)C)C

Other Databases

CHEBI ID
184976
METABOLOMICS ID
FL2FQUNR0001
PubChem CID
42608132

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 6
Aromatic Rings 1
Rotatable Bonds 1
Van der Waals Molecular Volume 340.77
Topological Polar Surface Area 76.97
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 3.59
Molar Refractivity 98.12

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Updated at
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