Structure Database (LMSD)

Common Name
5-O-Methylleridol
Systematic Name
Synonyms
LM ID
LMPK12140200
Formula
C19H20O5
Exact Mass
Calculate m/z
328.131075
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)
ZHZVKKUTTLMHKX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H20O5/c1-11-17(22-2)13(10-20)19(23-3)16-14(21)9-15(24-18(11)16)12-7-5-4-6-8-12/h4-8,15,20H,9-10H2,1-3H3
SMILES (Click to copy)
C1(CO)C(OC)=C(C)C2OC(C3C=CC=CC=3)CC(=O)C=2C=1OC

Other Databases

CHEBI ID
184881
METABOLOMICS ID
FL2FA9NM0014
PubChem CID
42607881

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 303.85
Topological Polar Surface Area 67.06
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 3.21
Molar Refractivity 88.96

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Updated at
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