Structure Database (LMSD)

Common Name
Euchrenone a1
Systematic Name
Synonyms
LM ID
LMPK12140309
Formula
C25H24O5
Exact Mass
Calculate m/z
404.162375
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)
SZOBYAPKYZKKGY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H24O5/c1-24(2)9-7-15-11-14(5-6-19(15)29-24)20-12-17(26)22-18(27)13-21-16(23(22)28-20)8-10-25(3,4)30-21/h5-11,13,20,27H,12H2,1-4H3
SMILES (Click to copy)
C1C2OC(C)(C)C=CC=2C2OC(C3C=C4C=CC(C)(C)OC4=CC=3)CC(=O)C=2C=1O

Other Databases

METABOLOMICS ID
FL2FAANP0004
PubChem CID
42607936

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 5
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 377.65
Topological Polar Surface Area 71.20
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 6.04
Molar Refractivity 115.37

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Updated at
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