Structure Database (LMSD)

Common Name
Exiguaflavanone M
Systematic Name
Synonyms
LM ID
LMPK12140114
Formula
C25H30O7
Exact Mass
Calculate m/z
442.199155
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)
XSBKAPZUMVFRED-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H30O7/c1-13(2)8-9-14(25(3,4)31)10-15-18(28)11-19(29)23-20(30)12-21(32-24(15)23)22-16(26)6-5-7-17(22)27/h5-8,11,14,21,26-29,31H,9-10,12H2,1-4H3
SMILES (Click to copy)
C1C(O)=C(CC(C(O)(C)C)C/C=C(\C)/C)C2OC(C3C(O)=CC=CC=3O)CC(=O)C=2C=1O

Other Databases

CHEBI ID
184841
METABOLOMICS ID
FL2FA8NI0005
PubChem CID
42607846

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 422.59
Topological Polar Surface Area 129.52
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 4.79
Molar Refractivity 119.91

Admin

Created at
-
Updated at
-