Term: | amaranthin |
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Accession: | CHEBI:2621
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Definition: | A disaccharide derivative that is betanidin in which a beta-D-glucuronosyl-(1->2)-beta-D-glucosyl moiety is attached at position 5. |
Synonyms: | exact_synonym: | (1E,2S)-1-{(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydropyridin-4(1H)-ylidene]ethylidene}-5-[(beta-D-glucopyranosyluronic acid)-(1->2)-beta-D-glucopyranosyloxy]-6-hydroxy-2,3-dihydro-1H-indolium-2-carboxylate |
| related_synonym: | Amaranthin betacyanin; Amarantin; Formula=C30H34N2O19; InChI=1S/C30H34N2O19/c33-8-17-18(35)20(37)24(51-29-22(39)19(36)21(38)23(50-29)28(46)47)30(49-17)48-16-6-10-5-14(27(44)45)32(13(10)7-15(16)34)2-1-9-3-11(25(40)41)31-12(4-9)26(42)43/h1-3,6-7,12,14,17-24,29-30,33,35-39H,4-5,8H2,(H5,34,40,41,42,43,44,45,46,47)/t12-,14-,17+,18+,19-,20-,21-,22+,23-,24+,29-,30+/m0/s1; InChIKey=ATSKDYKYMQVTGH-POBNKHOBSA-N; SMILES=OC[C@H]1O[C@@H](Oc2cc3C[C@@H](C([O-])=O)\\[N+](=C/C=C4\\C[C@H](NC(=C4)C(O)=O)C(O)=O)c3cc2O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@@H](O)[C@@H]1O; betanidin 5-O-beta-[1''->2']-glucuronosyl-beta-glucoside; betanidin 5-O-sophorobiuronic acid |
| xref: | CAS:15167-84-7; HMDB:HMDB0029406; KEGG:C08537; KNApSAcK:C00001581; MetaCyc:CPD-8658; Reaxys:8183321 |
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