Structure Database (LMSD)

Common Name
Osajin
Systematic Name
Synonyms
LM ID
LMPK12050201
Formula
C25H24O5
Exact Mass
Calculate m/z
404.162375
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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)
DCTLJGWMHPGCOS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H24O5/c1-14(2)5-10-17-21(27)20-22(28)19(15-6-8-16(26)9-7-15)13-29-24(20)18-11-12-25(3,4)30-23(17)18/h5-9,11-13,26-27H,10H2,1-4H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OC=C(C3=CC=C(O)C=C3)C(=O)C=1C(O)=C2C/C=C(/C)\C

Other Databases

Wikipedia
Osajin
KEGG ID
C10511
CHEBI ID
7797
METABOLOMICS ID
FLIAAANP0001
PubChem CID
95168

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 376.47
Topological Polar Surface Area 81.97
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 6.75
Molar Refractivity 118.75

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Updated at
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