Adrenochrome o-semiquinone

Properties Image MNX_ID MNXM735504 reference biggM:CE5541 formula C9H9NO3 global charge -1 mol weight 179.175 InChIKey YNKQTALYBHMWCC-UHFFFAOYSA-M InChI InChI=1S/C9H10NO3/c1-10-4-9(13)5-2-7(11)8(12)3-6(5)10/h2-3,9,12-13H,4H2,1H3/p-1 SMILES CN1CC(O)C2=CC([O])=C([O-])C=C21 MNX internals InChI (mnx) InChI=1/C9H10NO3/c1-10-4-9(13)5-2-7(11)8(12)3-6(5)10/h2-3,9,12-13H,4H2,1H3/t9? SMILES (mnx) [CH3:1][N:10]1[CH2:4][CH:9]([OH:13])[C:5]2=[CH:2][C:7]([O:11])=[C:8]([OH:12])[CH:3]=[C:6]21

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 1