compound 0102590

Properties Image MNX_ID MNXM1174768 reference envipathM:...e823da98b963 formula C10H8NO7 global charge -3 mol weight 254.174 InChIKey VOFALHJRUBYUOE-HNDNHIBWSA-K InChI InChI=1S/C10H11NO7/c1-5(10(17)18)9(11-3-8(15)16)6(4-12)2-7(13)14/h2-5,9H,1H3,(H,13,14)(H,15,16)(H,17,18)/p-3/b6-2-,11-3+ SMILES CC(C(=O)[O-])C(/N=C/C(=O)[O-])/C(C=O)=C\C(=O)[O-] MNX internals InChI (mnx) InChI=1/C10H11NO7/c1-5(10(17)18)9(11-3-8(15)16)6(4-12)2-7(13)14/h2-5,9H,1H3,(H,13,14)(H,15,16)(H,17,18)/b6-2-,11-3+/t5?,9? SMILES (mnx) [CH3:1][CH:5]([CH:9](/[C:6](=[CH:2]\[C:7](=[O:13])[OH:14])[CH:4]=[O:12])/[N:11]=[CH:3]/[C:8](=[O:15])[OH:16])[C:10](=[O:17])[OH:18]

Parent-child relations graph

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