Structure Database (LMSD)

Common Name
Epimesquitol-4alpha-ol
Systematic Name
Synonyms
LM ID
LMPK12020192
Formula
C15H14O7
Exact Mass
Calculate m/z
306.073955
Status
Active
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)
JEUXGAUBSWADEA-MRVWCRGKSA-N
InChi (Click to copy)
InChI=1S/C15H14O7/c16-8-3-1-6(5-10(8)18)14-13(21)11(19)7-2-4-9(17)12(20)15(7)22-14/h1-5,11,13-14,16-21H/t11-,13-,14-/m1/s1
SMILES (Click to copy)
C1(O)=C(O)C2O[C@H](C3C=C(O)C(O)=CC=3)[C@H](O)[C@H](O)C=2C=C1

Other Databases

METABOLOMICS ID
FL6D3CNS0002
PubChem CID
169996

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 254.87
Topological Polar Surface Area 132.68
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 7
logP 1.32
Molar Refractivity 74.39

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Updated at
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