Structure Database (LMSD)

Common Name
5-Hydroxypseudobaptigenin
Systematic Name
Synonyms
LM ID
LMPK12050252
Formula
C16H10O6
Exact Mass
Calculate m/z
298.04774
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)
BNFXYMBRFDJYCH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H10O6/c17-9-4-11(18)15-14(5-9)20-6-10(16(15)19)8-1-2-12-13(3-8)22-7-21-12/h1-6,17-18H,7H2
SMILES (Click to copy)
C1(O)=CC2OC=C(C3C=CC4OCOC=4C=3)C(=O)C=2C(O)=C1

Other Databases

CHEBI ID
61312
METABOLOMICS ID
FLIAACNS0002
PubChem CID
15301053

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 234.84
Topological Polar Surface Area 93.27
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 3.50
Molar Refractivity 77.48

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Updated at
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