Structure Database (LMSD)

Common Name
O-Methylodoratol
Systematic Name
Synonyms
LM ID
LMPK12120573
Formula
C18H20O5
Exact Mass
Calculate m/z
316.131075
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
PQWHNGRYDDJGPN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H20O5/c1-21-13-6-4-12(5-7-13)10-16(19)18(20)15-9-8-14(22-2)11-17(15)23-3/h4-9,11,16,19H,10H2,1-3H3
SMILES (Click to copy)
C1(OC)C=CC(C(=O)C(O)CC2C=CC(OC)=CC=2)=C(OC)C=1

Other Databases

KEGG ID
C09774
CHEBI ID
847
METABOLOMICS ID
FL1DHXNS0001
PubChem CID
442421

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 2
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 298.91
Topological Polar Surface Area 64.99
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 2.79
Molar Refractivity 87.09

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Updated at
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