Structure Database (LMSD)

OH OH OH HO O O
Common Name
ent-Epipeltogynan-4alpha-ol
Systematic Name
Synonyms
LM ID
LMPK12020222
Formula
C16H14O6
Exact Mass
Calculate m/z
302.07904
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)
OPWUVOPHCMWWGJ-PMPSAXMXSA-N
InChi (Click to copy)
InChI=1S/C16H14O6/c17-8-1-2-9-13(4-8)22-15-10-5-12(19)11(18)3-7(10)6-21-16(15)14(9)20/h1-5,14-20H,6H2/t14-,15+,16+/m1/s1
SMILES (Click to copy)
C12C=C(O)C=CC=1[C@@H](O)[C@@H]1OCC3C=C(O)C(O)=CC=3[C@@H]1O2

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL6DPTNS0002
PubChem CID
44257170

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 2
Rotatable Bonds 0
Van der Waals Molecular Volume 251.02
Topological Polar Surface Area 103.52
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 2.16
Molar Refractivity 75.30

Admin

Created at
-
Updated at
-