Structure Database (LMSD)

Common Name
Euchrenone b6
Systematic Name
Synonyms
LM ID
LMPK12050215
Formula
C25H26O6
Exact Mass
Calculate m/z
422.17294
Status
Active
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)
JIXABEPUKFUVOD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H26O6/c1-24(2,29)11-9-17-22-16(10-12-25(3,4)31-22)20(27)19-21(28)18(13-30-23(17)19)14-5-7-15(26)8-6-14/h5-8,10,12-13,26-27,29H,9,11H2,1-4H3
SMILES (Click to copy)
C12OC(C)(C)C=CC1=C(O)C1C(=O)C(C3=CC=C(O)C=C3)=COC=1C=2CCC(O)(C)C

Other Databases

METABOLOMICS ID
FLIAAANP0015
PubChem CID
14704590

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 387.90
Topological Polar Surface Area 102.20
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 6.23
Molar Refractivity 120.74

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Updated at
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