The International Chemical Identifier (InChI /ˈɪntʃiː/ IN-chee or /ˈɪŋkiː/ ING-kee –pronounced “IN-chee”) 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.
This macro is only available in the commercial cloud version of the app – available December 2023.
How to use
In the Confluence editor, type /inchi and select InChI 2D Molecular Structure.
...
| Code Block |
|---|
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H |
Macro output:
...
Aspirin
InChi text:
| Code Block |
|---|
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:
| Code Block |
|---|
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 InChI text:
| Code Block |
|---|
OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1 |
Macro output:
...
Beta-carotene
SMILES text:
| Code Block |
|---|
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:
| Code Block |
|---|
CC(=O)NCCC1=CNc2c1cc(OC)cc2CC(=O)NCCc1c[nH]c2ccc(OC)cc12 |
Macro output:
...
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1 |
Macro output:
...