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CHEBI:28554 - ajugose
| Formula | C36H62O31 |
| Net Charge | 0 |
| Average Mass | 990.861 |
| Monoisotopic Mass | 990.32751 |
| SMILES | OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@H](OC[C@H]4O[C@H](OC[C@H]5O[C@H](O[C@]6(CO)O[C@H](CO)[C@@H](O)[C@@H]6O)[C@H](O)[C@@H](O)[C@@H]5O)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |
| WURCS | WURCS=2.0/3,6,5/[a2122h-1a_1-5][ha122h-2b_2-5][a2112h-1a_1-5]/1-2-3-3-3-3/a1-b2_a6-c1_c6-d1_d6-e1_e6-f1 |
| InChI | InChI=1S/C36H62O31/c37-1-8-14(40)20(46)25(51)31(61-8)57-3-10-15(41)21(47)26(52)32(62-10)58-4-11-16(42)22(48)27(53)33(63-11)59-5-12-17(43)23(49)28(54)34(64-12)60-6-13-18(44)24(50)29(55)35(65-13)67-36(7-39)30(56)19(45)9(2-38)66-36/h8-35,37-56H,1-7H2/t8-,9-,10-,11-,12-,13-,14+,15+,16+,17+,18-,19-,20+,21+,22+,23+,24+,25-,26-,27-,28-,29-,30+,31+,32+,33+,34+,35-,36+/m1/s1 |
| InChIKey | NCIHJQNXRKJRMJ-HKJJPIHFSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ajugose (CHEBI:28554) has functional parent verbascose (CHEBI:28586) |
| ajugose (CHEBI:28554) is a hexasaccharide (CHEBI:35368) |
| ajugose (CHEBI:28554) is a raffinose family oligosaccharide (CHEBI:74961) |
| IUPAC Name |
|---|
| β-D-fructofuranosyl α-D-galactopyranosyl-(1→6)-α-D-galactopyranosyl-(1→6)-α-D-galactopyranosyl-(1→6)-α-D-galactopyranosyl-(1→6)-α-D-glucopyranoside |
| Synonyms | Source |
|---|---|
| alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose | KEGG COMPOUND |
| Ajugose | KEGG COMPOUND |
| β-D-Galp-(1→6)-β-D-Galp-(1→6)-β-D-Galp-(1→6)-β-D-Galp-(1→6)-α-D-Glcp-(1↔2)-β-D-Fruf | ChEBI |
| Citations |
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