Structure Database (LMSD)

Common Name
Euchrenone b9
Systematic Name
Synonyms
LM ID
LMPK12050216
Formula
C25H24O6
Exact Mass
Calculate m/z
420.15729
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
KOYTWDRAYNCQMX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H24O6/c1-13(2)19(27)11-17-21(28)20-22(29)18(14-5-7-15(26)8-6-14)12-30-24(20)16-9-10-25(3,4)31-23(16)17/h5-10,12,19,26-28H,1,11H2,2-4H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OC=C(C3=CC=C(O)C=C3)C(=O)C=1C(O)=C2CC(O)C(=C)C

Other Databases

CHEBI ID
178574
METABOLOMICS ID
FLIAAANP0016
PubChem CID
14704593

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 385.26
Topological Polar Surface Area 102.20
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 6.01
Molar Refractivity 120.65

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Updated at
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