Structure Database (LMSD)

Common Name
Apometzgerin
Systematic Name
Tricetin 3',4'-dimethyl ether
Synonyms
LM ID
LMPK12110879
Formula
C17H14O7
Exact Mass
Calculate m/z
330.073955
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
FVFZGRNGSUVGKQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O7/c1-22-15-4-8(3-12(21)17(15)23-2)13-7-11(20)16-10(19)5-9(18)6-14(16)24-13/h3-7,18-19,21H,1-2H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(OC)C(OC)=C(O)C=3)=CC(=O)C=2C(O)=C1

Other Databases

HMDB ID
HMDB0124862
CHEBI ID
185408
METABOLOMICS ID
FL3FAKNS0001
PubChem CID
5488643

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 273.29
Topological Polar Surface Area 109.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 3.49
Molar Refractivity 86.13

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Updated at
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