3-Methoxytyramine-betaxanthin (Q27155257)

(2S,4E)-4-[(2Z)-2-{[2-(4-Hydroxy-3-methoxyphenyl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylic acid (English)

(2S,4E)-4-(2-{[2-(4-hydroxy-3-methoxyphenyl)ethyl]imino}ethylidene)-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

9 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

(2S,4E)-4-[(2E)-2-{[2-(4-hydroxy-3-methoxyphenyl)ethyl]imino}ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₀N₂O₆

0 references

canonical SMILES

COC=1C=C(C=CC1O)CCN=C(C(=C2C=C(C(=O)O)NC(C2)(C(=O)O)[H])[H])[H]

1 reference

3-Methoxytyramine-betaxanthin (English)

9 October 2016

isomeric SMILES

COC=1C=C(C=CC1O)CC/N=C(\C(=C/2\C=C(C(=O)O)N[C@@](C2)(C(=O)O)[H])\[H])/[H]

1 reference

Betalains of Celosia argentea

3-Methoxytyramine-betaxanthin (English)

9 October 2016

1 reference

Identifiers

InChI

InChI=1S/C18H20N2O6/c1-26-16-10-11(2-3-15(16)21)4-6-19-7-5-12-8-13(17(22)23)20-14(9-12)18(24)25/h2-3,5,7-8,10,14,20-21H,4,6,9H2,1H3,(H,22,23)(H,24,25)/b12-5-,19-7-/t14-/m0/s1

1 reference

3-Methoxytyramine-betaxanthin (English)

SBHOSQZNRDXQAX-WSESCXGKSA-N

9 October 2016

InChIKey

2 references

3-Methoxytyramine-betaxanthin (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S,4E)-4-[(2Z)-2-{[2-(4-Hydroxy-3-methoxyphenyl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylic acid (English)

9 October 2016

ChEBI ID

81319

mapping relation type

1 reference

3-Methoxytyramine-betaxanthin (English)

9 October 2016

1 reference

3-Methoxytyramine-betaxanthin (English)