Structure Database (LMSD)

Common Name
Morelosin
Systematic Name
Synonyms
LM ID
LMPK12111659
Formula
C17H14O7
Exact Mass
Calculate m/z
330.073955
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)
HEJAFZFLVQINJF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O7/c1-22-10-3-8(4-11(7-10)23-2)17-16(21)15(20)14-12(19)5-9(18)6-13(14)24-17/h3-7,18-19,21H,1-2H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(OC)C=C(OC)C=3)=C(O)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FA9NS0008
PubChem CID
5492310

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 273.29
Topological Polar Surface Area 109.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 3.49
Molar Refractivity 86.13

Admin

Created at
-
Updated at
-