Structure Database (LMSD)

Common Name
Elliptinol
Systematic Name
Synonyms
LM ID
LMPK12060057
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]
Rotenoid flavonoids [PK1206]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
ZVEDKPGZOXEGTK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O6/c1-22-15-7-12-14(8-16(15)23-2)25-9-17-18(12)19(21)11-3-4-13-10(5-6-24-13)20(11)26-17/h3-8,17-19,21H,9H2,1-2H3
SMILES (Click to copy)
C12OC=CC=1C1OC3COC4C(=CC(OC)=C(OC)C=4)C3C(O)C=1C=C2

Other Databases

CHEBI ID
190820
METABOLOMICS ID
FLIFHZNF0001
PubChem CID
44257418

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 5
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 294.32
Topological Polar Surface Area 74.43
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 3.99
Molar Refractivity 94.37

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Updated at
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