Structure Database (LMSD)

Common Name
Munetone
Systematic Name
Synonyms
LM ID
LMPK12050078
Formula
C26H24O5
Exact Mass
Calculate m/z
416.162375
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)
JANOATQYNVFIDV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H24O5/c1-25(2)10-8-15-12-18-22(13-21(15)31-25)29-14-19(23(18)27)16-6-7-20-17(24(16)28-5)9-11-26(3,4)30-20/h6-14H,1-5H3
SMILES (Click to copy)
C12OC(C)(C)C=CC1=CC1C(=O)C(C3C=CC4OC(C)(C)C=CC=4C=3OC)=COC=1C=2

Other Databases

CHEBI ID
185843
METABOLOMICS ID
FLIA1LNP0005
PubChem CID
12312999

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 5
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 381.41
Topological Polar Surface Area 62.04
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 7.31
Molar Refractivity 123.09

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Updated at
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