Structure Database (LMSD)

OH OH OH O O O O
Common Name
Artoindonesianin Q
Systematic Name
Synonyms
LM ID
LMPK12110910
Formula
C22H22O7
Exact Mass
Calculate m/z
398.136555
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

String Representations

InChiKey (Click to copy)
YIGFIYUYIAFKOH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H22O7/c1-11(2)5-6-13-21(26)20-17(25)7-12(27-3)8-19(20)29-22(13)14-9-16(24)18(28-4)10-15(14)23/h5,7-10,23-25H,6H2,1-4H3
SMILES (Click to copy)
C12C(=O)C(C/C=C(\C)/C)=C(C3C=C(O)C(OC)=CC=3O)OC=1C=C(OC)C=C2O

References

Taxonomy Information

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

Other Databases

CHEBI ID
178247
METABOLOMICS ID
FL3FALNI0021
PubChem CID
5320428

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 357.15
Topological Polar Surface Area 109.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 5.00
Molar Refractivity 109.26

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Created at
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Updated at
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