Structure Database (LMSD)

Common Name
Hibiscetin 3,7,8,4'-tetramethyl ether
Systematic Name
Synonyms
LM ID
LMPK12113275
Formula
C19H18O9
Exact Mass
Calculate m/z
390.095085
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
JQGZBLKKSMADGT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O9/c1-24-12-7-9(20)13-14(23)19(27-4)15(28-18(13)17(12)26-3)8-5-10(21)16(25-2)11(22)6-8/h5-7,20-22H,1-4H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C=C(O)C(OC)=C(O)C=3)=C(OC)C(=O)C=2C(O)=C1

Other Databases

CHEBI ID
196378
METABOLOMICS ID
FL5FFGNS0004
PubChem CID
44260038

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 325.47
Topological Polar Surface Area 127.82
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 9
logP 3.51
Molar Refractivity 99.23

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Updated at
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