Structure Database (LMSD)

Common Name
Cycloartomunin
Systematic Name
Synonyms
LM ID
LMPK12110916
Formula
C26H24O7
Exact Mass
Calculate m/z
448.152205
Status
Active
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)
WQSBCGFYYIWXHK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H24O7/c1-12(2)8-20-22-23(29)21-16(28)10-18-13(6-7-26(3,4)33-18)24(21)32-25(22)14-9-15(27)19(30-5)11-17(14)31-20/h6-11,20,27-28H,1-5H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OC3C4C=C(O)C(OC)=CC=4OC(/C=C(\C)/C)C=3C(=O)C=1C(O)=C2

Other Databases

HMDB ID
HMDB0038878
CHEBI ID
178148
METABOLOMICS ID
FL3FALNP0005
PubChem CID
10456312

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 5
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 398.99
Topological Polar Surface Area 102.50
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 6.65
Molar Refractivity 124.96

Admin

Created at
-
Updated at
-