Structure Database (LMSD)

HO OH HO OH OH O O
Common Name
6-C-(3-Hydroxyisopentyl)eriodictyol
Systematic Name
Synonyms
LM ID
LMPK12140404
Formula
C20H22O7
Exact Mass
Calculate m/z
374.136555
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
AUWAYTAMBAVTLA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H22O7/c1-20(2,26)6-5-11-13(22)8-17-18(19(11)25)15(24)9-16(27-17)10-3-4-12(21)14(23)7-10/h3-4,7-8,16,21-23,25-26H,5-6,9H2,1-2H3
SMILES (Click to copy)
C1(CCC(C)(O)C)C(O)=CC2OC(C3C=C(O)C(O)=CC=3)CC(=O)C=2C=1O

References

Taxonomy Information

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

Other Databases

CHEBI ID
184907
METABOLOMICS ID
FL2FACNI0010
PubChem CID
14827427

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 338.73
Topological Polar Surface Area 129.52
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 3.21
Molar Refractivity 96.99

Admin

Created at
-
Updated at
-