Merge branch 'test_annot_wf' of github.com:mdondrup/BilayerData into test_annot_wf

Author: mdondrup

Molecules/membrane/BOGUS/metadata.yaml

@@ -3,4 +3,22 @@ NMRlipids:
   name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
 bioschema_properties:
   inChIKey: HEGSGKPQLMEBJL-RKQHYHRCSA-N
-  
+  name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
+  iupacName: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
+  molecularFormula: C14H28O6
+  molecularWeight: 292.37
+  inChI: InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1
+  smiles: CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
+  image: https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL446037?dimensions=200
+  alternateName:
+  - 1-<em>O</em>-<em>n</em>-octyl-β-<small>D</small>-glucopyranoside
+  - 1-<em>O</em>-octyl-β-<small>D</small>-glucopyranoside
+  - 1-octyl-β-<small>D</small>-glucopyranoside
+  - octyl-β-<small>D</small>-glucoside
+  - Oct β-Glc
+  - β-octylglucoside
+  - β-<small>D</small>-octyl glucoside
+sameAs:
+  ChEMBL: CHEMBL446037
+  ChEBI: CHEBI:CHEBI:41128
+  pubchem.compound: 62852