Structure Database (LMSD)

Common Name
Fisetinidol-4beta-ol 3,4,7,3',4'-pentamethyl ether
Systematic Name
Synonyms
LM ID
LMPK12020184
Formula
C20H24O6
Exact Mass
Calculate m/z
360.15729
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
RCABCWRSNHSFDC-HSALFYBXSA-N
InChi (Click to copy)
InChI=1S/C20H24O6/c1-21-13-7-8-14-16(11-13)26-18(20(25-5)19(14)24-4)12-6-9-15(22-2)17(10-12)23-3/h6-11,18-20H,1-5H3/t18-,19+,20-/m1/s1
SMILES (Click to copy)
C1(OC)=CC2O[C@H](C3C=C(OC)C(OC)=CC=3)[C@@H](OC)[C@@H](OC)C=2C=C1

Other Databases

CHEBI ID
187633
METABOLOMICS ID
FL6D1CNS0007
PubChem CID
44257143

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 332.58
Topological Polar Surface Area 57.45
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 3.83
Molar Refractivity 96.97

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Updated at
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