Structure Database (LMSD)

Common Name
Corylinal
Systematic Name
Synonyms
LM ID
LMPK12050032
Formula
C16H10O5
Exact Mass
Calculate m/z
282.052825
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)
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

Other Databases

CHEBI ID
196272
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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