Structure Database (LMSD)

Common Name
Laricitrin
Systematic Name
Synonyms
LM ID
LMPK12112482
Formula
C16H12O8
Exact Mass
Calculate m/z
332.05322
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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)
CFYMYCCYMJIYAB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O8/c1-23-11-3-6(2-9(19)13(11)20)16-15(22)14(21)12-8(18)4-7(17)5-10(12)24-16/h2-5,17-20,22H,1H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(OC)C(O)=C(O)C=3)=C(O)C(=O)C=2C(O)=C1

Other Databases

Wikipedia
Laricitrin
KEGG ID
C12633
HMDB ID
HMDB0126497
CHEBI ID
31763
METABOLOMICS ID
FL5FAHNS0001
PubChem CID
5282154

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 264.78
Topological Polar Surface Area 140.59
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 8
logP 2.90
Molar Refractivity 82.90

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Updated at
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