Structure Database (LMSD)

Common Name
Muxiangrin II
Systematic Name
Synonyms
  • Muxiangrine II
LM ID
LMPK12111043
Formula
C22H20O6
Exact Mass
Calculate m/z
380.12599
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)
WVODPTIXOWVJNY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H20O6/c1-11-16(26-4)10-18-19(20(11)25)14(23)9-17(27-18)13-7-12-5-6-22(2,3)28-21(12)15(24)8-13/h5-10,24-25H,1-4H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=C(O)C4OC(C)(C)C=CC=4C=3)OC=1C=C(OC)C(C)=C2O

Other Databases

METABOLOMICS ID
FL3FCCNP0001
PubChem CID
44258379

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 4
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 336.00
Topological Polar Surface Area 91.20
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 5.56
Molar Refractivity 106.90

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