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CHEBI:210281 - AI-77-B
| Formula | C20H28N2O8 |
| Net Charge | 0 |
| Average Mass | 424.450 |
| Monoisotopic Mass | 424.18457 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](O)[C@@H](N)CC(=O)O)[C@@H]1Cc2cccc(O)c2C(=O)O1 |
| InChI | InChI=1S/C20H28N2O8/c1-9(2)6-12(22-19(28)18(27)17(26)11(21)8-15(24)25)14-7-10-4-3-5-13(23)16(10)20(29)30-14/h3-5,9,11-12,14,17-18,23,26-27H,6-8,21H2,1-2H3,(H,22,28)(H,24,25)/t11-,12-,14-,17-,18-/m0/s1 |
| InChIKey | LOXFXXGTOVWWQV-YKRRISCLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Bacillus pumilus (ncbitaxon:1408) | - | DOI (10.1016/0040-4039(82)80150-0) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| AI-77-B (CHEBI:210281) has functional parent β-amino acid (CHEBI:33706) |
| AI-77-B (CHEBI:210281) is a organonitrogen compound (CHEBI:35352) |
| AI-77-B (CHEBI:210281) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| (3S,4S,5S)-3-amino-4,5-dihydroxy-6-[[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]amino]-6-oxohexanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 170791 | ChemSpider |