Structure Database (LMSD)

Common Name
Myricetin
Systematic Name
Synonyms
LM ID
LMPK12110001
Status
Active
Exact Mass
Calculate m/z
318.03757
Formula
C15H10O8
Show lipids differing only in stereochemistry/bond geometry
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View ion mobility data
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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)
IKMDFBPHZNJCSN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
SMILES (Click to copy)
C1(O)C=C2OC(C3=CC(O)=C(O)C(O)=C3)=C(O)C(=O)C2=C(O)C=1

References

Other Databases

Wikipedia
Myricetin
KEGG ID
C10107
HMDB ID
HMDB0002755
CHEBI ID
18152
PubChem CID
5281672
Cayman ID
10012600

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 247.48
Topological Polar Surface Area 151.59
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 8
logP 2.59
Molar Refractivity 78.02

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Created at
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Updated at
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