Structure Database (LMSD)

Common Name
Sakuranetin
Systematic Name
Synonyms
LM ID
LMPK12140571
Formula
C16H14O5
Exact Mass
Calculate m/z
286.084125
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
DJOJDHGQRNZXQQ-AWEZNQCLSA-N
InChi (Click to copy)
InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
SMILES (Click to copy)
C1(OC)C=C2O[C@]([H])(C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1

Other Databases

Wikipedia
Sakuranetin
KEGG ID
C09833
HMDB ID
HMDB0030090
CHEBI ID
28927
METABOLOMICS ID
FL2FCANS0001
PubChem CID
73571
PDB ID
SAK
GuidePharm ID
412

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 251.95
Topological Polar Surface Area 78.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 2.81
Molar Refractivity 75.08

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Created at
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Updated at
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