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amaranthin

Properties

Image

Occurences in reactions

MNX_ID

MNXM736259

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

formula

C₃₀H₃₄N₂O₁₉

charge

mass

726.17558

reference

chebi:2621

InChIKey

ATSKDYKYMQVTGH-POBNKHOBSA-N

InChI

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

SMILES

O=C(O)C1=C/C(=C/C=[N+]2/c3cc(O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc3C[C@H]2C(=O)[O-])C[C@@H](C(=O)O)N1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:2621 chebi:2621	amaranthin (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 Amaranthin Amaranthin betacyanin Amarantin betanidin 5-O-beta-[1''->2']-glucuronosyl-beta-glucoside betanidin 5-O-sophorobiuronic acid
kegg.compound:C08537 keggC:C08537	Amaranthin
seed.compound:cpd05444 seedM:cpd05444	Amaranthin amaranthin betanidin 5-O-beta-[1"->2']-glucosyluronate-beta-glucoside betanidin 5-O-sophorobiuronic acid
metacyc.compound:CPD-8658 metacycM:CPD-8658	amaranthin betanidin 5-O-beta-[1"->2']-glucosyluronate-beta-glucoside betanidin 5-O-sophorobiuronic acid
keggC:M_C08537 seedM:M_cpd05444	secondary/obsolete/fantasy identifier