Structure Database (LMSD)

HO OH OH OH O
Common Name
ent-Epifisetinidol
Systematic Name
Synonyms
LM ID
LMPK12020015
Formula
C15H14O5
Exact Mass
Calculate m/z
274.084125
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)
VFZYLYJWCROVLO-ZFWWWQNUSA-N
InChi (Click to copy)
InChI=1S/C15H14O5/c16-10-3-1-8-5-13(19)15(20-14(8)7-10)9-2-4-11(17)12(18)6-9/h1-4,6-7,13,15-19H,5H2/t13-,15-/m0/s1
SMILES (Click to copy)
C1(O)C=C2O[C@@H](C3C=C(O)C(O)=CC=3)[C@@H](O)CC2=CC=1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL631CNS0003
PubChem CID
12309896

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 237.29
Topological Polar Surface Area 92.22
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 2.13
Molar Refractivity 71.47

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Updated at
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