Structure Database (LMSD)

O O OH O O
Common Name
Linderone
Systematic Name
Synonyms
LM ID
LMPK12120437
Formula
C16H14O5
Exact Mass
Calculate m/z
286.084125
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)
IUTJITCLNLMFAJ-CMDGGOBGSA-N
InChi (Click to copy)
InChI=1S/C16H14O5/c1-20-15-13(18)12(14(19)16(15)21-2)11(17)9-8-10-6-4-3-5-7-10/h3-9,17H,1-2H3/b9-8+
SMILES (Click to copy)
C1(OC)C(=O)/C(=C(/C=C/C2C=CC=CC=2)\O)/C(=O)C=1OC

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1CUNNS0001
PubChem CID
11208407

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 2
Aromatic Rings 1
Rotatable Bonds 4
Van der Waals Molecular Volume 272.57
Topological Polar Surface Area 72.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 2.17
Molar Refractivity 76.19

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Updated at
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