Structure Database (LMSD)

Common Name
Prosogerin C
Systematic Name
Synonyms
LM ID
LMPK12110071
Formula
C20H20O7
Exact Mass
Calculate m/z
372.120905
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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)
PKNYLIKZEGFYRC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O7/c1-22-16-8-12-13(21)9-14(27-15(12)10-17(16)23-2)11-6-18(24-3)20(26-5)19(7-11)25-4/h6-10H,1-5H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=C(OC)C(OC)=C(OC)C=3)=CC(=O)C=2C=C1OC

Other Databases

METABOLOMICS ID
FL3F2GNS0003
PubChem CID
44257588

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 325.19
Topological Polar Surface Area 76.36
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
logP 4.40
Molar Refractivity 100.79

Admin

Created at
-
Updated at
-