Structure Database (LMSD)

Common Name
Loureirin B
Systematic Name
Synonyms
LM ID
LMPK12120604
Formula
C18H20O5
Exact Mass
Calculate m/z
316.131075
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)
ZPFRAPVRYLGYEC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H20O5/c1-21-14-10-17(22-2)15(18(11-14)23-3)8-9-16(20)12-4-6-13(19)7-5-12/h4-7,10-11,19H,8-9H2,1-3H3
SMILES (Click to copy)
C1(O)C=CC(C(=O)CCC2C(OC)=CC(OC)=CC=2OC)=CC=1

Other Databases

METABOLOMICS ID
FL1DRTNS0005
PubChem CID
189670
Cayman ID
27454

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 2
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 298.91
Topological Polar Surface Area 64.99
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 3.23
Molar Refractivity 86.86

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Updated at
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