| Properties | Image |
|---|
| MNX_ID | MNXM1183680 |
 |
| reference | envipathM:...332d9a5b840d |
| formula | C19H14NO8 |
| global charge | -3 |
| mol weight | 384.32 |
| InChIKey | CPGQVVAJZCGFMU-RIYZIHGNSA-K |
| InChI | InChI=1S/C19H17NO8/c1-10-12(9-15(21)22)13(8-14(28-2)18(24)25)16(19(26)27)20(10)17(23)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,21,22)(H,24,25)(H,26,27)/p-3/b14-8+ |
| SMILES | CO/C(=C/C1=C(C(=O)[O-])N(C(=O)C2=CC=CC=C2)C(C)=C1CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C19H17NO8/c1-10-12(9-15(21)22)13(8-14(28-2)18(24)25)16(19(26)27)20(10)17(23)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,21,22)(H,24,25)(H,26,27)/b14-8+ |
 |
| SMILES (mnx) | [CH3:1][C:10]1=[C:12]([CH2:9][C:15](=[O:21])[OH:22])[C:13](/[CH:8]=[C:14](\[C:18](=[O:24])[OH:25])[O:28][CH3:2])=[C:16]([C:19](=[O:26])[OH:27])[N:20]1[C:17]([C:11]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)=[O:23] |
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