Structure Database (LMSD)

Common Name
Hibiscetin
Systematic Name
Synonyms
LM ID
LMPK12113272
Formula
C15H10O9
Exact Mass
Calculate m/z
334.032485
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)
ZPFXBGIJKDANBP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O9/c16-5-3-8(19)11(21)15-9(5)12(22)13(23)14(24-15)4-1-6(17)10(20)7(18)2-4/h1-3,16-21,23H
SMILES (Click to copy)
C1(O)=C(O)C2OC(C3C=C(O)C(O)=C(O)C=3)=C(O)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FFGNS0001
PubChem CID
15559735

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 256.27
Topological Polar Surface Area 171.82
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 9
logP 2.30
Molar Refractivity 79.68

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Updated at
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