Structure Database (LMSD)

Common Name
Isolicoflavonol
Systematic Name
Synonyms
LM ID
LMPK12111984
Formula
C20H18O6
Exact Mass
Calculate m/z
354.11034
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

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)
PGCKDCPTJAQQSQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O6/c1-10(2)3-4-11-7-12(5-6-14(11)22)20-19(25)18(24)17-15(23)8-13(21)9-16(17)26-20/h3,5-9,21-23,25H,4H2,1-2H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC(O)=C(C/C=C(\C)/C)C=3)=C(O)C(=O)C=2C(O)=C1

Other Databases

HMDB ID
HMDB0037249
CHEBI ID
175544
METABOLOMICS ID
FL5FAANI0007
PubChem CID
5318585

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 313.76
Topological Polar Surface Area 111.13
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 4.69
Molar Refractivity 97.82

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Updated at
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