Structure Database (LMSD)

Common Name
Altisin
Systematic Name
Synonyms
LM ID
LMPK12111313
Formula
C19H18O7
Exact Mass
Calculate m/z
358.105255
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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)
SSJWWCKNRIUXON-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O7/c1-22-12-6-5-7-13(23-2)17(12)14-8-10(20)16-11(21)9-15(24-3)18(25-4)19(16)26-14/h5-9,21H,1-4H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C(OC)=CC=CC=3OC)=CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL3FF8NS0012
PubChem CID
15100719

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 307.89
Topological Polar Surface Area 87.36
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 4.10
Molar Refractivity 95.90

Admin

Created at
-
Updated at
-