Structure Database (LMSD)

Common Name
Velloeriodictyol
Systematic Name
Synonyms
LM ID
LMPK12140389
Formula
C20H18O6
Exact Mass
Calculate m/z
354.11034
Status
Active
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)
LERYOHZJWRNSNO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O6/c1-9(2)15-6-11-17(25-15)8-18-19(20(11)24)14(23)7-16(26-18)10-3-4-12(21)13(22)5-10/h3-5,8,15-16,21-22,24H,1,6-7H2,2H3
SMILES (Click to copy)
C12CC(C(=C)C)OC1=CC1OC(C3C=C(O)C(O)=CC=3)CC(=O)C=1C=2O

Other Databases

METABOLOMICS ID
FL2FACNF0001
PubChem CID
42607990

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 314.94
Topological Polar Surface Area 100.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 3.68
Molar Refractivity 93.64

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Updated at
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