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Update Molecules/membrane/BOGUS/metadata.yaml
Co-authored-by: github-actions[bot] <41898282+github-actions[bot]@users.noreply.github.com>
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Molecules/membrane/BOGUS/metadata.yaml

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@@ -2,4 +2,22 @@ NMRlipids:
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id: BOGUS
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bioschema_properties:
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inChIKey: HEGSGKPQLMEBJL-RKQHYHRCSA-N
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name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
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iupacName: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
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molecularFormula: C14H28O6
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molecularWeight: 292.37
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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
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smiles: CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
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image: https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL446037?dimensions=200
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alternateName:
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- 1-<em>O</em>-<em>n</em>-octyl-β-<small>D</small>-glucopyranoside
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- 1-<em>O</em>-octyl-β-<small>D</small>-glucopyranoside
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- 1-octyl-β-<small>D</small>-glucopyranoside
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- octyl-β-<small>D</small>-glucoside
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- Oct β-Glc
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- β-octylglucoside
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- β-<small>D</small>-octyl glucoside
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sameAs:
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ChEMBL: CHEMBL446037
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ChEBI: CHEBI:CHEBI:41128
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pubchem.compound: 62852

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