| Properties | Image |
|---|
| MNX_ID | MNXM1184274 |
 |
| reference | envipathM:...6d85d5f99782 |
| formula | C20H19N2O10 |
| global charge | -1 |
| mol weight | 447.376 |
| InChIKey | PTRDDPCJSHKSNU-UHFFFAOYSA-M |
| InChI | InChI=1S/C20H20N2O10/c23-10-21-13-3-1-11(2-4-13)7-12-8-15(25)16(18(27)17(12)26)22-19(28)31-6-5-14(24)9-32-20(29)30/h1-4,8,14,24-27H,5-7,9H2,(H,22,28)(H,29,30)/p-1 |
| SMILES | O=C=NC1=CC=C(CC2=C(O)C(O)=C(NC(=O)OCCC(O)COC(=O)[O-])C(O)=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C20H20N2O10/c23-10-21-13-3-1-11(2-4-13)7-12-8-15(25)16(18(27)17(12)26)22-19(28)31-6-5-14(24)9-32-20(29)30/h1-4,8,14,24-27H,5-7,9H2,(H,22,28)(H,29,30)/t14? |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:13]([N:21]=[C:10]=[O:23])=[CH:4][CH:2]=[C:11]1[CH2:7][C:12]1=[CH:8][C:15]([OH:25])=[C:16]([N:22]=[C:19]([OH:28])[O:31][CH2:6][CH2:5][CH:14]([CH2:9][O:32][C:20](=[O:29])[OH:30])[OH:24])[C:18]([OH:27])=[C:17]1[OH:26] |
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