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Test autocomplete metadata #430

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Test autocomplete metadata #430

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a5f7869
Added a testing case that should resolve to BOG
mdondrup Jun 21, 2026
c4ea9d6
Merge branch 'main' of https://github.com/NMRlipids/BilayerData
mdondrup Jun 21, 2026
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4 changes: 4 additions & 0 deletions Molecules/membrane/TESTING/metadata.yaml
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Original file line number Diff line number Diff line change
@@ -0,0 +1,4 @@
NMRlipids:
id: TESTING
bioschema_properties:

@github-actions github-actions Bot Jun 21, 2026

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[addmetadata] reported by reviewdog 🐶

Suggested change
bioschema_properties:
name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
bioschema_properties:

inChIKey: HEGSGKPQLMEBJL-RKQHYHRCSA-N

@github-actions github-actions Bot Jun 21, 2026

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[addmetadata] reported by reviewdog 🐶

Suggested change
inChIKey: HEGSGKPQLMEBJL-RKQHYHRCSA-N
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://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=62852&t=l
alternateName:
- 29836-26-8
- OCTYL BETA-D-GLUCOPYRANOSIDE
- n-Octyl-beta-D-glucopyranoside
- 1-O-n-Octyl-beta-D-glucopyranoside
- caprylyl glucoside
- beta-D-Octyl glucoside
- Octyl-beta-D-glucoside
- octylglucoside
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
- DTXSID6042234
- V109WUT6RL
- beta-D-Glucopyranoside, octyl
- DTXCID4022234
- CHEBI:41128
- octylglucopyranoside
- beta-octyl-d-glucoside
- octyl-alpha-D-glucoside
- beta-octylglucopyranoside
- RefChem:856084
- 249-887-8
- Octyl-beta-D-glucopyranoside
- B-Octylglucoside
- Octyl beta-D-glucoside
- n-Octyl beta-D-glucopyranoside
- MFCD00063288
- n-Octyl glucoside
- Octyl b-D-Glucopyranoside
- 1-O-Octyl-beta-D-glucopyranoside
- n-Octyl |A-D-glucopyranoside
- 1174225-19-4
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(octyloxy)tetrahydro-2H-pyran-3,4,5-triol
- 1-O-octyl-.beta.-D-glucopyranoside
- C14H28O6
- M02217
- n-Octyl-beta-D-Glucoside
- BOG
- OG
- OGP
- OCTYL L-GLUCOPYRANOSIDE
- Octyl D-glucoside
- 78168-20-4
- beta-octylglucoside
- Octyl ?-D-Glucopyranoside
- Octyl .beta.-D-glucopyranoside
- UNII-V109WUT6RL
- GLC-(1-1)OCT
- 1-O-Octyl-beta-D-glucopyranose
- .beta.-D-Glucopyranoside, octyl
- Oct beta-Glc
- EINECS 249-887-8
- N-OCTYL-|A-D-GLUCOPYRANOSIDE
- octyl beta-D-glucose
- 'Octyl hexopyranoside #'
- Octyl .beta.-glucoside
- beta-Octyl monoglucoside
- SUCRAPH AG-8
- n-Octyl beta-D-glucoside
- Octyl beta-glucopyranoside
- 1-Octyl beta-D-glucoside
- n-Octylglucoside, non-ionic
- SCHEMBL61562
- n-Octyl-ss-D-Glucopyranoside
- 144388-20-5
- n-Octyl EC-D-glucopyranoside
- Octyl-I(2)-D-glucopyranoside
- 1-octyl-beta-d-glucopyranoside
- 1-Octyl beta-D-glucopyranoside
- CHEMBL446037
- Octyl-.beta.-D-glucopyranoside
- orb1685725
- 1-O-Octyl-?-D-glucopyranoside
- 1-O-Octyl-|?-D-glucopyranoside
- n-octyl-.beta.-d-glucopyranoside
- 1-n-Octyl beta-D-glucopyranoside
- CHEBI:136667
- n-Octyl--D-glucopyranoside;OG;OGP
- Tox21_302162
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(octyloxy)oxane-3,4,5-triol
- beta-D-Glucopyranoside, octyl (9CI)
- AKOS015919434
- CCG-233290
- DO05161
- MO07054
- Glucopyranoside, octyl, beta-D- (8CI)
- NCGC00255887-01
- 2-[4-[Acetyl[[2-(acetylamino)-3,4-dihydro-4-oxo-6-pteridinyl]methyl]amino]phenyl]-4,5-dihydro-5-oxo-
- AS-18093
- N-OCTYL-.BETA.-D-GLUCOSIDE [MI]
- Octyl-|A-D-glucopyranoside research grade
- SY074759
- CAS-29836-26-8
- DS-021969
- HY-116285
- CS-0064659
- NS00015079
- O0232
- Octyl beta-D-glucopyranoside, >=98% (GC)
- F14806
- T64321
- Q7077127
- Octyl beta-D-glucopyranoside, BioXtra, >=98% (GC)
- Octyl beta-D-glucopyranoside, Vetec(TM) reagent grade, 98%
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxy-tetrahydropyran-3,4,5-triol
- Beta-Octylglucoside; octyl beta-D-glucoside; octyl D-glucoside; octyl glucoside
- NCGC00385963-01!(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
sameAs:
cas: 29836-26-8

@mdondrup mdondrup Jun 21, 2026

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@comcon1 looks like it's working, doesn't it?

@mdondrup mdondrup Jun 21, 2026

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Possibly, we should check the output of the python script. Only one sameAs? and a bit too many alternateName's?

@comcon1 comcon1 Jun 22, 2026

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That's fine. A person can reduce the number of synonyms if they want. That's not a big deal)

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