Structure Database (LMSD)

Common Name
Munduserone
Systematic Name
Synonyms
LM ID
LMPK12060021
Formula
C19H18O6
Exact Mass
Calculate m/z
342.11034
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Rotenoid flavonoids [PK1206]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
PYRZRPSTTNKOCS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O6/c1-21-10-4-5-11-14(6-10)25-17-9-24-13-8-16(23-3)15(22-2)7-12(13)18(17)19(11)20/h4-8,17-18H,9H2,1-3H3
SMILES (Click to copy)
C1(OC)=CC2OC3COC4=C(C=C(OC)C(OC)=C4)C3C(=O)C=2C=C1

Other Databases

METABOLOMICS ID
FLIF1LNS0001
PubChem CID
315227

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 300.28
Topological Polar Surface Area 67.36
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 3.40
Molar Refractivity 90.52

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Updated at
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