Structure Database (LMSD)

Common Name
Glyzarin
Systematic Name
Synonyms
LM ID
LMPK12050004
Formula
C18H14O4
Exact Mass
Calculate m/z
294.08921
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
KTCOGEGNUCOCON-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H14O4/c1-10(19)15-14(20)9-8-13-17(21)16(11(2)22-18(13)15)12-6-4-3-5-7-12/h3-9,20H,1-2H3
SMILES (Click to copy)
C1(O)=C(C(C)=O)C2OC(C)=C(C3C=CC=CC=3)C(=O)C=2C=C1

Other Databases

HMDB ID
HMDB0029534
CHEBI ID
174784
METABOLOMICS ID
FLIA19NM0004
PubChem CID
44257206

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 261.58
Topological Polar Surface Area 67.51
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 4.58
Molar Refractivity 84.43

Admin

Created at
-
Updated at
-