Structure Database (LMSD)

Common Name
Isocarthamidin
Systematic Name
Synonyms
LM ID
LMPK12140667
Formula
C15H12O6
Exact Mass
Calculate m/z
288.06339
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)
NUNODKNZSZKXGY-LBPRGKRZSA-N
InChi (Click to copy)
InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)12-6-10(18)13-9(17)5-11(19)14(20)15(13)21-12/h1-5,12,16-17,19-20H,6H2/t12-/m0/s1
SMILES (Click to copy)
C12C(O)=C(O)C=C(O)C=1C(=O)C[C@@H](C1C=CC(O)=CC=1)O2

Other Databases

METABOLOMICS ID
FL2FFANS0001
PubChem CID
42608117

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 243.44
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 2.22
Molar Refractivity 71.86

Admin

Created at
-
Updated at
-