Structure Database (LMSD)

Common Name
Helmon
Systematic Name
4,7,4',6-Tetrahydroxyaurone
Synonyms
LM ID
LMPK12130056
Formula
C15H10O6
Exact Mass
Calculate m/z
286.04774
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
OBXHAWNIHMDNAA-WZUFQYTHSA-N
InChi (Click to copy)
InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)5-11-14(20)12-9(17)6-10(18)13(19)15(12)21-11/h1-6,16-19H/b11-5-
SMILES (Click to copy)
C1(O)C(O)=C2O/C(=C\C3C=CC(O)=CC=3)/C(=O)C2=C(O)C=1

Other Databases

METABOLOMICS ID
FL1AFANS0001
PubChem CID
15538187

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 240.80
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 2.13
Molar Refractivity 72.48

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Updated at
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