Structure Database (LMSD)

Common Name
Lespedezaflavanone E
Systematic Name
Synonyms
LM ID
LMPK12140471
Formula
C30H36O6
Exact Mass
Calculate m/z
492.25119
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)
VQOULKOYGVNLLK-DHZHZOJOSA-N
InChi (Click to copy)
InChI=1S/C30H36O6/c1-16(2)7-10-19-23(31)14-13-20(27(19)33)25-15-24(32)26-29(35)21(11-8-17(3)4)28(34)22(30(26)36-25)12-9-18(5)6/h7-9,11,13-14,17,25,31,33-35H,10,12,15H2,1-6H3/b11-8+
SMILES (Click to copy)
C1(/C=C/C(C)C)C(O)=C(C/C=C(\C)/C)C2OC(C3C(O)=C(C/C=C(/C)\C)C(O)=CC=3)CC(=O)C=2C=1O

Other Databases

CHEBI ID
187144
METABOLOMICS ID
FL2FALNI0010
PubChem CID
42608019

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 3
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 495.02
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 6.90
Molar Refractivity 142.00

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Updated at
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