Structure Database (LMSD)

O OH O HO OH H O
Common Name
5'-Prenylhomoeriodictyol
Systematic Name
Synonyms
  • Abyssinoflavanone II
LM ID
LMPK12140439
Formula
C21H22O6
Exact Mass
Calculate m/z
370.14164
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)
UQFQODVSORPELA-KRWDZBQOSA-N
InChi (Click to copy)
InChI=1S/C21H22O6/c1-11(2)4-5-12-6-13(7-19(26-3)21(12)25)17-10-16(24)20-15(23)8-14(22)9-18(20)27-17/h4,6-9,17,22-23,25H,5,10H2,1-3H3/t17-/m0/s1
SMILES (Click to copy)
C1(O)C=C2O[C@]([H])(C3C=C(OC)C(O)=C(C/C=C(\C)/C)C=3)CC(=O)C2=C(O)C=1

References

Taxonomy Information

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

Other Databases

KEGG ID
C09831
METABOLOMICS ID
FL2FADNI0001
PubChem CID
442457

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 344.60
Topological Polar Surface Area 98.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 4.03
Molar Refractivity 99.88

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Updated at
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