Structure Database (LMSD)

Systematic Name
(2R-cis)-2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Synonyms
LM ID
LMPK12020022
Formula
C15H14O6
Exact Mass
Calculate m/z
290.07904
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
INFSVMACOKVKOV-UKRRQHHQSA-N
InChi (Click to copy)
InChI=1S/C15H14O6/c16-7-1-2-11(18)10(3-7)15-13(20)6-9-12(19)4-8(17)5-14(9)21-15/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
SMILES (Click to copy)
C12C[C@@H](O)[C@@H](C3C=C(O)C=CC=3O)OC=1C=C(O)C=C2O

Other Databases

CHEBI ID
193340
METABOLOMICS ID
FL63A8NS0001
PubChem CID
44257054

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 246.08
Topological Polar Surface Area 112.45
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 6
logP 1.83
Molar Refractivity 73.14

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Updated at
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