Betanidin

Molecular Formula: C₁₈H₁₆N₂O₈

InChI: InChI=1/C18H16N2O8/c21-14-6-9-5-13(18(27)28)20(12(9)7-15(14)22)2-1-8-3-10(16(23)24)19-11(4-8)17(25)26/h1-3,6-7,11,13H,4-5H2,(H5,21,22,23,24,25,26,27,28)/t11-,13-/m0/s1/f/h19,21-23,25H

InChIKey: InChIKey=XHJKHSXHWJCBLX-JVCMDYIPDW
SMILES: C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)O)C(=O)[O-])C(=O)O)C(=O)O

Names:
    Betanidin
    C08539
    (2S)-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-5,6-dihydroxy-2,3-dihydroindole-2-carboxylate
    2,6-Pyridinedicarboxylic acid,4-(2-(2-carboxy-2,3-dihydro-5,6-dihydroxy-1H-indol-1-yl)ethenyl)-2,3-dihydro-, (S-(R*,R))-
    2181-76-2

Registries:
    PubChem CID 6324770
    PubChem ID 10732