Structure Database (LMSD)

Common Name
Erybraedin E
Systematic Name
Synonyms
LM ID
LMPK12070010
Formula
C22H20O4
Exact Mass
Calculate m/z
348.13616
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Pterocarpans [PK1207]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
VAVHXRDWDOYXSV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H20O4/c1-12(2)3-4-15-18(23)6-5-14-17-11-25-20-10-19-13(7-8-24-19)9-16(20)22(17)26-21(14)15/h3,5-10,17,22-23H,4,11H2,1-2H3
SMILES (Click to copy)
C12OC=CC1=CC1C3OC4C(C/C=C(/C)\C)=C(O)C=CC=4C3COC=1C=2

Other Databases

METABOLOMICS ID
FLID1ANF0004
PubChem CID
471690

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 5
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 319.60
Topological Polar Surface Area 54.13
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 5.16
Molar Refractivity 99.44

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Updated at
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