Structure Database (LMSD)

Common Name
Dolineone
Systematic Name
Synonyms
  • Dolichone
LM ID
LMPK12060008
Formula
C19H12O6
Exact Mass
Calculate m/z
336.06339
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)
RAJDDCCSNZAPCH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H12O6/c20-19-11-3-9-1-2-21-12(9)5-14(11)25-17-7-22-13-6-16-15(23-8-24-16)4-10(13)18(17)19/h1-6,17-18H,7-8H2
SMILES (Click to copy)
C12OC=CC1=CC1C(=O)C3C4=C(OCC3OC=1C=2)C=C1OCOC1=C4

Other Databases

HMDB ID
HMDB0034039
CHEBI ID
174526
METABOLOMICS ID
FLIF1LNF0002
PubChem CID
5316959

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 6
Aromatic Rings 2
Rotatable Bonds 0
Van der Waals Molecular Volume 272.92
Topological Polar Surface Area 73.57
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 3.47
Molar Refractivity 86.65

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Updated at
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