Structure Database (LMSD)

Common Name
Euchrenone a7
Systematic Name
Synonyms
LM ID
LMPK12140078
Formula
C20H20O5
Exact Mass
Calculate m/z
340.131075
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)
JJOUBYOHNYJCOU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O5/c1-11(2)3-5-14-16(22)8-7-15-18(24)10-19(25-20(14)15)13-6-4-12(21)9-17(13)23/h3-4,6-9,19,21-23H,5,10H2,1-2H3
SMILES (Click to copy)
C1C(O)=C(C/C=C(\C)/C)C2OC(C3C(O)=CC(O)=CC=3)CC(=O)C=2C=1

Other Databases

CHEBI ID
85169
METABOLOMICS ID
FL2F1LNI0002
PubChem CID
10291003

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 318.51
Topological Polar Surface Area 89.06
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.02
Molar Refractivity 93.33

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Updated at
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