Structure Database (LMSD)

Common Name
Sanggenon I
Systematic Name
Synonyms
LM ID
LMPK12140514
Formula
C25H26O6
Exact Mass
Calculate m/z
422.17294
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
BVVVHQJFODXUQX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H26O6/c1-14(2)5-4-9-25(3)10-8-16-18(27)7-6-17(24(16)31-25)21-13-20(29)23-19(28)11-15(26)12-22(23)30-21/h5-8,10-12,21,26-28H,4,9,13H2,1-3H3
SMILES (Click to copy)
C1C(O)=CC2OC(C3C4OC(C)(CC/C=C(\C)/C)C=CC=4C(O)=CC=3)CC(=O)C=2C=1O

Other Databases

METABOLOMICS ID
FL2FALNP0010
PubChem CID
21721851

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 398.80
Topological Polar Surface Area 100.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 5.71
Molar Refractivity 117.44

Admin

Created at
-
Updated at
-