compound 0075235

Properties Image MNX_ID MNXM1305015 reference envipathM:...b25d343d8a14 formula C13H10NO8 global charge -1 mol weight 308.222 InChIKey NMMPRMORXHVJMN-UHFFFAOYSA-M InChI InChI=1S/C13H11NO8/c1-5(9(17)12(20)13(21)22)2-6-8(16)3-7(14-4-15)11(19)10(6)18/h3,5,16,18-19H,2H2,1H3,(H,21,22)/p-1 SMILES CC(CC1=C(O)C(O)=C(N=C=O)C=C1O)C(=O)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H11NO8/c1-5(9(17)12(20)13(21)22)2-6-8(16)3-7(14-4-15)11(19)10(6)18/h3,5,16,18-19H,2H2,1H3,(H,21,22)/t5? SMILES (mnx) [CH3:1][CH:5]([CH2:2][C:6]1=[C:8]([OH:16])[CH:3]=[C:7]([N:14]=[C:4]=[O:15])[C:11]([OH:19])=[C:10]1[OH:18])[C:9]([C:12]([C:13](=[O:21])[OH:22])=[O:20])=[O:17]

Parent-child relations graph

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