Structure Database (LMSD)

HO OH OH HO OH O O
Common Name
Morin
Systematic Name
3,5,7,2',4'-Pentahydroxyflavonol
Synonyms
LM ID
LMPK12112517
Formula
C15H10O7
Exact Mass
Calculate m/z
302.042655
Status
Active
Show lipids differing only in stereochemistry/bond geometry
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Main

Classification

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

String Representations

InChiKey (Click to copy)
YXOLAZRVSSWPPT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
SMILES (Click to copy)
C1(O)=CC2OC(C3C(O)=CC(O)=CC=3)=C(O)C(=O)C=2C(O)=C1

References

Taxonomy Information

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

Other Databases

Wikipedia
Morin
KEGG ID
C10105
HMDB ID
HMDB0030796
CHEBI ID
75092
METABOLOMICS ID
FL5FALNS0002
PubChem CID
5281670
PDB ID
MRI
GuidePharm ID
411

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 238.69
Topological Polar Surface Area 131.36
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 2.89
Molar Refractivity 76.35

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Created at
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Updated at
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