Structure Database (LMSD)

Common Name
Muxiangrin III
Systematic Name
Synonyms
  • Muxiangrine III
LM ID
LMPK12111040
Formula
C23H24O6
Exact Mass
Calculate m/z
396.15729
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)
PCAHZXLEUZEBMU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H24O6/c1-11(2)6-7-14-8-15(9-17(25)21(14)27)18-10-16(24)19-20(26)12(3)22(28-5)13(4)23(19)29-18/h6,8-10,25-27H,7H2,1-5H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=C(C/C=C(\C)/C)C(O)=C(O)C=3)OC=1C(C)=C(OC)C(C)=C2O

Other Databases

METABOLOMICS ID
FL3FCCNI0001
PubChem CID
44258378

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 3
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 365.66
Topological Polar Surface Area 100.13
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 5.61
Molar Refractivity 112.18

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Updated at
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