Amaranthin

CAS Registry Number®

15167-84-7
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CAS Name

Amaranthin

Molecular Formula

C30H34N2O19

Molecular Mass

726.59

Cite this Page

Amaranthin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=15167-84-7 (retrieved 2024-05-12) (CAS RN: 15167-84-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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/h1-3,6-7,12,14,17-24,29-30,33-39H,4-5,8H2,(H,40,41)(H,42,43)(H,44,45)(H,46,47)

InChIKey

InChIKey=HNGVOGUQLNOBKK-UHFFFAOYSA-N

SMILES

C(=CC=1CC(C(O)=O)N=C(C(O)=O)C1)N2C=3C(CC2C(O)=O)=CC(OC4C(OC5OC(C(O)=O)C(O)C(O)C5O)C(O)C(O)C(CO)O4)=C(O)C3

Canonical SMILES

O=C(O)C1=NC(C(=O)O)CC(C=CN2C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4OC5OC(C(=O)O)C(O)C(O)C5O)C=C3CC2C(=O)O)=C1

Other Names for this Substance

  • 2,6-Pyridinedicarboxylic acid, 4-[2-[(2S)-2-carboxy-5-[(2-O-β-D-glucopyranuronosyl-β-D-glucopyranosyl)oxy]-2,3-dihydro-6-hydroxy-1H-indol-1-yl]ethenyl]-2,3-dihydro-, (2S)-
  • Amarantin
  • 2,6-Pyridinedicarboxylic acid, 4-[2-[2-carboxy-5-[(2-O-β-D-glucopyranuronosyl-β-D-glucopyranosyl)oxy]-2,3-dihydro-6-hydroxy-1H-indol-1-yl]ethenyl]-2,3-dihydro-, [S-(R*,R*)]-
  • (2S)-4-[2-[(2S)-2-Carboxy-5-[(2-O-β-D-glucopyranuronosyl-β-D-glucopyranosyl)oxy]-2,3-dihydro-6-hydroxy-1H-indol-1-yl]ethenyl]-2,3-dihydro-2,6-pyridinedicarboxylic acid
  • Amaranthin

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Deleted or Replaced CAS Registry Numbers

11033-33-3, 27951-64-0

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