Structure Database (LMSD)

OH OH OH HO OH O
Common Name
Fisetinidol-4alpha-ol
Systematic Name
Synonyms
LM ID
LMPK12020179
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)
OFZBQQUVMQGHDJ-QLFBSQMISA-N
InChi (Click to copy)
InChI=1S/C15H14O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,13-20H/t13-,14+,15-/m1/s1
SMILES (Click to copy)
C1(O)=CC2O[C@H](C3C=C(O)C(O)=CC=3)[C@@H](O)[C@H](O)C=2C=C1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL6D1CNS0002
PubChem CID
164762

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 1.62
Molar Refractivity 72.73

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Updated at
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