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CHEBI:176947 - Atractyloside G
| Formula | C21H36O8 |
| Net Charge | 0 |
| Average Mass | 416.511 |
| Monoisotopic Mass | 416.24102 |
| SMILES | [H][C@@]1(C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)C[C@@H](O)[C@H](O)C(=C)[C@]2([H])C1 |
| InChI | InChI=1S/C21H36O8/c1-10-12-7-11(5-6-21(12,4)8-13(23)15(10)24)20(2,3)29-19-18(27)17(26)16(25)14(9-22)28-19/h11-19,22-27H,1,5-9H2,2-4H3/t11-,12+,13-,14-,15-,16-,17+,18-,19+,21+/m1/s1 |
| InChIKey | LDPAVRBHBSJMIE-ZHHGUSBESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptococcus mutans (ncbitaxon:1309) | biofilm (BTO:0002690) | MetaboLights (MTBLS3020) | Strain: Streptococcus mutans UA159 [NCBI:txid210007] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Atractyloside G (CHEBI:176947) is a eudesmane sesquiterpenoid (CHEBI:62508) |
| IUPAC Name |
|---|
| (2S,3R,4S,5S,6R)-2-[2-[(2R,4aS,6R,7R,8aR)-6,7-dihydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol |