The International Chemical Identifier (InChI /ˈɪntʃiː/ IN-chee or /ˈɪŋkiː/ ING-kee) is a textual identifier for chemical substances, designed to provide a standard way to encode molecular information and to facilitate the search for such information in databases and on the web.
The InChI 2D Molecular Structure macro renders strings in InChI format into two-dimensional drawings of the molecules.
How to use
In the Confluence editor, type /inchi and select InChI 2D Molecular Structure.
The macro properties panel will appear.
Add your InChI Text and width and height:
Save the Confluence page and the 2D Molecular Structure will be rendered.
Examples of InChi notation and the macro output
Some examples of the SMILES 2D Molecular Structure macro:
Phenol
InChi text:
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
Macro output:
Aspirin
InChi text:
InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
Macro output:
Codeine
InChi text:
InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1
Macro output:
Glucose
SMILES text:
OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1
Macro output:
Beta-carotene
SMILES text:
CC1CCC/C(C)=C1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)/CCCC2(C)C
Macro output:
Melatonin
SMILES text:
CC(=O)NCCC1=CNc2c1cc(OC)cc2CC(=O)NCCc1c[nH]c2ccc(OC)cc12
Macro output:
