Structure Database (LMSD)

Common Name
Sericetin
Systematic Name
Synonyms
LM ID
LMPK12111649
Formula
C25H24O5
Exact Mass
Calculate m/z
404.162375
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
BPGVKIFGOXGHPB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H24O5/c1-14(2)10-11-17-23-16(12-13-25(3,4)30-23)19(26)18-20(27)21(28)22(29-24(17)18)15-8-6-5-7-9-15/h5-10,12-13,26,28H,11H2,1-4H3
SMILES (Click to copy)
C12OC(C)(C)C=CC1=C(O)C1C(=O)C(O)=C(C3C=CC=CC=3)OC=1C=2C/C=C(\C)/C

Other Databases

CHEBI ID
92096
METABOLOMICS ID
FL5FA9NP0001
PubChem CID
4020240

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 376.47
Topological Polar Surface Area 81.97
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 6.75
Molar Refractivity 118.75

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Updated at
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