EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C8H12O8 |
| Net Charge | 0 |
| Average Mass | 236.176 |
| Monoisotopic Mass | 236.05322 |
| SMILES | CC(=O)OC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O |
| WURCS | WURCS=2.0/1,1,0/[a2122A-1x_1-5_1*OCC/3=O]/1/ |
| InChI | InChI=1S/C8H12O8/c1-2(9)15-8-5(12)3(10)4(11)6(16-8)7(13)14/h3-6,8,10-12H,1H3,(H,13,14)/t3-,4-,5+,6-,8?/m0/s1 |
| InChIKey | KKQGLALOFAYFGV-XWBUKDKVSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Smallanthus sonchifolius (ncbitaxon:185202) | leaf lamina (BTO:0000719) | PubMed (31511527) |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-acetyloxy-D-glucuronic acid (CHEBI:147318) is a glucuronic acid (CHEBI:24298) |