Structure Database (LMSD)

Common Name
Dalpalatin
Systematic Name
Synonyms
LM ID
LMPK12050424
Formula
C18H14O8
Exact Mass
Calculate m/z
358.06887
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)
ZQPQGJMTUGTCFU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H14O8/c1-22-11-5-13-12(25-7-26-13)3-8(11)9-6-24-14-4-10(19)18(23-2)17(21)15(14)16(9)20/h3-6,19,21H,7H2,1-2H3
SMILES (Click to copy)
C1(O)C(OC)=C(O)C2C(=O)C(C3=C(OC)C=C4OCOC4=C3)=COC=2C=1

Other Databases

METABOLOMICS ID
FLIAELNS0002
PubChem CID
14542772

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 287.02
Topological Polar Surface Area 111.73
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
logP 3.52
Molar Refractivity 90.58

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Updated at
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