Structure Database (LMSD)

Common Name
Epioritin-4alpha-ol
Systematic Name
Synonyms
LM ID
LMPK12020187
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)
JSZRJOLRIBESNT-MRVWCRGKSA-N
InChi (Click to copy)
InChI=1S/C15H14O6/c16-8-3-1-7(2-4-8)14-13(20)11(18)9-5-6-10(17)12(19)15(9)21-14/h1-6,11,13-14,16-20H/t11-,13-,14-/m1/s1
SMILES (Click to copy)
C1(O)=C(O)C2O[C@H](C3C=CC(O)=CC=3)[C@H](O)[C@H](O)C=2C=C1

Other Databases

CHEBI ID
196282
METABOLOMICS ID
FL6D3ANS0002
PubChem CID
44187798

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

Admin

Created at
-
Updated at
-