Structure Database (LMSD)

HO OH OH OH OH O
Common Name
(2R,3R)-3,5,7,3',5'-Pentahydroxyflavan
Systematic Name
Synonyms
LM ID
LMPK12020024
Formula
C15H14O6
Exact Mass
Calculate m/z
290.07904
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
MKXNQWPXEHIMRX-UKRRQHHQSA-N
InChi (Click to copy)
InChI=1S/C15H14O6/c16-8-1-7(2-9(17)3-8)15-13(20)6-11-12(19)4-10(18)5-14(11)21-15/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
SMILES (Click to copy)
C1(O)C=C2O[C@H](C3C=C(O)C=C(O)C=3)[C@H](O)CC2=C(O)C=1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL63A9NS0002
PubChem CID
44257055

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 73.13

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Updated at
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