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Substance Name: Amaranthin betacyanin
RN: 15167-84-7
InChIKey: ATSKDYKYMQVTGH-POBNKHOBSA-N

Molecular Weight

  • 726.5936
 
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Names and Synonyms

Name of Substance

  • Amaranthin betacyanin

Synonyms

  • Amaranthin
  • Amaranthin pigment
  • Amarantin

Registry Numbers

CAS Registry Number

  • 15167-84-7

Other Registry Numbers

  • 11033-33-3
  • 27951-64-0

System Generated Number

  • 0015167847

Structure Descriptors

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=C\4/C[C@H](NC(=C4)C(=O)O)C(=O)O)\c3cc2O)[C@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O)[C@@H](O)[C@@H]1O