Gomphrenin-I

Molecular Formula: C24H26N2O13


InChI: InChI=1/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-7-13-10(6-15(16)28)5-14(23(36)37)26(13)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)/t12-,14-,17+,18+,19-,20+,24+/m0/s1/f/h25,28,32,34H

InChIKey: InChIKey=YUDKHXMQDKVDGU-WBQWCHBFDI
SMILES: C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)OC4C(C(C(C(O4)CO)O)O)O)O)C(=O)[O-])C(=O)O)C(=O)O

Names:
    C08544
    Gomphrenin-I
    (2S)-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-5-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindole-2-carboxylate
    17008-59-2

Registries:
    PubChem CID 6096868
    PubChem ID 10737