OCHRATOXIN B

Molecular Formula: C₂₀H₁₉NO₆

InChI: InChI=1/C20H19NO6/c1-11-9-13-7-8-14(17(22)16(13)20(26)27-11)18(23)21-15(19(24)25)10-12-5-3-2-4-6-12/h2-8,11,15,22H,9-10H2,1H3,(H,21,23)(H,24,25)/t11-,15+/m1/s1/f/h21,24H

InChIKey: InChIKey=DAEYIVCTQUFNTM-WNXZUBGWDG
SMILES: CC1CC2=C(C(=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O)O)C(=O)O1

Names:
    Alanine, N-((8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl-, (-)-
    BRN 1300160
    CCRIS 5094
    HSDB 3438
    L-Phenylalanine, N-((3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-, (R)-
    OCHRATOXIN B
    (2S)-2-[[(3R)-8-hydroxy-3-methyl-1-oxo-isochroman-7-carbonyl]amino]-3-phenyl-propanoic acid
    4825-86-9

Registries:
    PubChem CID 20966
    PubChem ID 163750