Structure Database (LMSD)

OH HO O O
Common Name
Desmethoxymatteucinol
Systematic Name
Synonyms
LM ID
LMPK12140192
Formula
C17H16O4
Exact Mass
Calculate m/z
284.10486
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

String Representations

InChiKey (Click to copy)
HAIHGFWQOPJMPV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H16O4/c1-9-15(19)10(2)17-14(16(9)20)12(18)8-13(21-17)11-6-4-3-5-7-11/h3-7,13,19-20H,8H2,1-2H3
SMILES (Click to copy)
C1(O)=C(C)C2OC(C3C=CC=CC=3)CC(=O)C=2C(O)=C1C

References

Taxonomy Information

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

Other Databases

HMDB ID
HMDB0030694
CHEBI ID
172517
METABOLOMICS ID
FL2FA9NM0006
PubChem CID
625031

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 260.46
Topological Polar Surface Area 68.83
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 3.42
Molar Refractivity 78.00

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Updated at
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