Structure Database (LMSD)

OH OH OH OH HO O
Common Name
Nubigenol
Systematic Name
Synonyms
LM ID
LMPK12120579
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]
Chalcones and dihydrochalcones [PK1212]

String Representations

InChiKey (Click to copy)
NPOVZMYHKXTUAS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H14O6/c16-9-3-1-8(2-4-9)5-13(20)15(21)14-11(18)6-10(17)7-12(14)19/h1-4,6-7,13,16-20H,5H2
SMILES (Click to copy)
C1(O)C=C(O)C(C(=O)C(O)CC2C=CC(O)=CC=2)=C(O)C=1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1DHXNS0007
PubChem CID
12110863

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 2
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 255.80
Topological Polar Surface Area 118.22
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 6
logP 1.58
Molar Refractivity 74.10

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Updated at
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