Structure Database (LMSD)

Common Name
Durlettone
Systematic Name
Synonyms
LM ID
LMPK12050028
Formula
C21H20O4
Exact Mass
Calculate m/z
336.13616
Status
Curated
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)
HVGQBDGAJOAKIO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H20O4/c1-14(2)10-11-24-16-6-4-15(5-7-16)19-13-25-20-12-17(23-3)8-9-18(20)21(19)22/h4-10,12-13H,11H2,1-3H3
SMILES (Click to copy)
C1(OC)=CC2OC=C(C3C=CC(OC/C=C(\C)/C)=CC=3)C(=O)C=2C=C1

Other Databases

CHEBI ID
166643
METABOLOMICS ID
FLIA1ANI0002
PubChem CID
3693845

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 313.48
Topological Polar Surface Area 48.67
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 6.00
Molar Refractivity 100.00

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Updated at
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