Structure Database (LMSD)

Common Name
Quercetol C
Systematic Name
Synonyms
LM ID
LMPK12140180
Formula
C22H24O5
Exact Mass
Calculate m/z
368.162375
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

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)
DKYFESWWIPJYTA-ZHACJKMWSA-N
InChi (Click to copy)
InChI=1S/C22H24O5/c1-22(2,24)11-10-15-18(25-3)13-19(26-4)20-16(23)12-17(27-21(15)20)14-8-6-5-7-9-14/h5-11,13,17,24H,12H2,1-4H3/b11-10+
SMILES (Click to copy)
C1C(OC)=C(/C=C/C(O)(C)C)C2OC(C3C=CC=CC=3)CC(=O)C=2C=1OC

Other Databases

CHEBI ID
197162
METABOLOMICS ID
FL2FA9NI0017
PubChem CID
42607876

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 353.11
Topological Polar Surface Area 67.06
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 4.48
Molar Refractivity 104.15

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Updated at
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