Structure Database (LMSD)

O OH OH HO O O
Systematic Name
6,3',4'-Trihydroxy-4-methoxy-7-methylaurone
Synonyms
LM ID
LMPK12130048
Formula
C17H14O6
Exact Mass
Calculate m/z
314.07904
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
PTOZSWMIAUAQJP-MKMNVTDBSA-N
InChi (Click to copy)
InChI=1S/C17H14O6/c1-8-11(19)7-13(22-2)15-16(21)14(23-17(8)15)6-9-3-4-10(18)12(20)5-9/h3-7,18-20H,1-2H3/b14-6+
SMILES (Click to copy)
C1(O)C(C)=C2O/C(=C/C3C=CC(O)=C(O)C=3)/C(=O)C2=C(OC)C=1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1ABCNM0002
PubChem CID
42607778

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 275.40
Topological Polar Surface Area 98.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 2.74
Molar Refractivity 82.10

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Updated at
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