Structure Database (LMSD)

Common Name
Euchrenone a9
Systematic Name
Synonyms
LM ID
LMPK12140517
Formula
C25H26O6
Exact Mass
Calculate m/z
422.17294
Status
Curated
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)
WUVGXZKCQBMDDK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H26O6/c1-13(2)5-7-16-22(29)21-19(28)12-20(15-8-6-14(26)11-18(15)27)30-24(21)17-9-10-25(3,4)31-23(16)17/h5-6,8-11,20,26-27,29H,7,12H2,1-4H3
SMILES (Click to copy)
C1(C/C=C(\C)/C)C2OC(C)(C)C=CC=2C2OC(C3C(O)=CC(O)=CC=3)CC(=O)C=2C=1O

Other Databases

METABOLOMICS ID
FL2FALNP0013
PubChem CID
14704583

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 398.80
Topological Polar Surface Area 100.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 5.49
Molar Refractivity 117.58

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Created at
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Updated at
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