Structure Database (LMSD)

Common Name
Corylinal
Systematic Name
Synonyms
LM ID
LMPK12050032
Status
Active
Exact Mass
Calculate m/z
282.052825
Formula
C16H10O5
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

String Representations

InChiKey (Click to copy)
RSDJURKESRJBKH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H10O5/c17-7-10-5-9(1-4-14(10)19)13-8-21-15-6-11(18)2-3-12(15)16(13)20/h1-8,18-19H
SMILES (Click to copy)
C1(O)=CC2OC=C(C3C=CC(O)=C(C=O)C=3)C(=O)C=2C=C1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FLIA1ANM0001
PubChem CID
44257227

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 235.77
Topological Polar Surface Area 87.74
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 3.58
Molar Refractivity 76.75

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Updated at
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