Structure Database (LMSD)

Common Name
Pseudobaptigenin
Systematic Name
Synonyms
LM ID
LMPK12050053
Formula
C16H10O5
Exact Mass
Calculate m/z
282.052825
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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)
KNJNBKINYHZUGC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2
SMILES (Click to copy)
C1(O)C=C2OC=C(C3C=C4OCOC4=CC=3)C(=O)C2=CC=1

Other Databases

Wikipedia
Pseudobaptigenin
KEGG ID
C10522
HMDB ID
HMDB0036616
CHEBI ID
8602
METABOLOMICS ID
FLIA1CNS0001
PubChem CID
5281805

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 4
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 226.05
Topological Polar Surface Area 73.04
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 3.79
Molar Refractivity 75.82

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Updated at
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