Structure Database (LMSD)

Common Name
Isorhamnetin
Systematic Name
Synonyms
LM ID
LMPK12110002
Status
Active
Exact Mass
Calculate m/z
316.058305
Formula
C16H12O7
Show lipids differing only in stereochemistry/bond geometry
View MoNA MS spectra
View ion mobility data
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
IZQSVPBOUDKVDZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
SMILES (Click to copy)
C1(O)C=C2OC(C3=CC=C(O)C(OC)=C3)=C(O)C(=O)C2=C(O)C=1

References

Other Databases

Wikipedia
Flavonoid
KEGG ID
C10084
HMDB ID
HMDB0002655
CHEBI ID
6052
PubChem CID
5281654
Cayman ID
16496

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 255.99
Topological Polar Surface Area 120.36
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 3.19
Molar Refractivity 81.24

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Updated at
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