Miraxanthin-V (Q27107372)

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

5 October 2016

chemical formula

C₁₇H₁₈N₂O₆

0 references

canonical SMILES

C1=CC(=C(C=C1CCN=C(C(=C2C=C(C(=O)O)NC(C2)C(=O)O)[H])[H])O)O

1 reference

Miraxanthin-V (English)

5 October 2016

isomeric SMILES

C1=CC(=C(C=C1CC/N=C(\C(=C/2\C=C(C(=O)O)NC(C2)C(=O)O)\[H])/[H])O)O

1 reference

Miraxanthin-V (English)

InChI=1S/C17H18N2O6/c20-14-2-1-10(9-15(14)21)3-5-18-6-4-11-7-12(16(22)23)19-13(8-11)17(24)25/h1-2,4,6-7,9,13,19-21H,3,5,8H2,(H,22,23)(H,24,25)/b11-4-,18-6-

5 October 2016

Identifiers

InChI

1 reference

Miraxanthin-V (English)

PDKFHZWVCCZUIF-YJHWCPSBSA-N

5 October 2016

InChIKey

2 references

Miraxanthin-V (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Miraxanthin-V (English)

5 October 2016

1 reference

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

5 October 2016

ChEBI ID

6948

mapping relation type

2 references

Miraxanthin-V (English)

matched by identifier from

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C17H18N2O6/c20-14-2-1-10(9-15(14)21)3-5-18-6-4-11-7-12(16(22)23)19-13(8-11)17(24)25/h1-2,4,6-7,9,13,19-21H,3,5,8H2,(H,22,23)(H,24,25)/b11-4-,18-6-

DSSTox substance ID

DTXSID90415083

0 references

DSSTOX compound identifier

0 references

1 reference

Miraxanthin-V (English)

5 October 2016

1 reference

Miraxanthin-V (English)