Structure Database (LMSD)

Common Name
Hispidol
Systematic Name
Synonyms
LM ID
LMPK12130004
Status
Active
Exact Mass
Calculate m/z
254.05791
Formula
C15H10O4
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Aurone flavonoids [PK1213]

String Representations

InChiKey (Click to copy)
KEZLDSPIRVZOKZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-14-15(18)12-6-5-11(17)8-13(12)19-14/h1-8,16-17H
SMILES (Click to copy)
C12C(=O)C(=CC3C=CC(O)=CC=3)OC=1C=C(O)C=C2

References

Taxonomy Information

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

Other Databases

HMDB ID
HMDB0137607
METABOLOMICS ID
FL1A1ANS0001
PubChem CID
313109

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 223.22
Topological Polar Surface Area 68.83
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 2.71
Molar Refractivity 69.15

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Updated at
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