| Properties | Image |
|---|
| MNX_ID | MNXM1190999 |
 |
| reference | envipathM:...6756c1c195d8 |
| formula | C20H19N2O10 |
| global charge | -1 |
| mol weight | 447.376 |
| InChIKey | ZQSJNXXPGAOURI-UHFFFAOYSA-M |
| InChI | InChI=1S/C20H20N2O10/c23-10-21-15-6-5-14(17(26)18(15)27)16(25)11-1-3-12(4-2-11)22-19(28)32-9-13(24)7-8-31-20(29)30/h1-6,13,16,24-27H,7-9H2,(H,22,28)(H,29,30)/p-1 |
| SMILES | O=C=NC1=CC=C(C(O)C2=CC=C(NC(=O)OCC(O)CCOC(=O)[O-])C=C2)C(O)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C20H20N2O10/c23-10-21-15-6-5-14(17(26)18(15)27)16(25)11-1-3-12(4-2-11)22-19(28)32-9-13(24)7-8-31-20(29)30/h1-6,13,16,24-27H,7-9H2,(H,22,28)(H,29,30)/t13?,16? |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:12]([NH:22][C:19](=[O:28])[O:32][CH2:9][CH:13]([CH2:7][CH2:8][O:31][C:20](=[O:29])[OH:30])[OH:24])=[CH:4][CH:2]=[C:11]1[CH:16]([C:14]1=[C:17]([OH:26])[C:18]([OH:27])=[C:15]([N:21]=[C:10]=[O:23])[CH:6]=[CH:5]1)[OH:25] |
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