| Properties | Image |
|---|
| MNX_ID | MNXM1184839 |
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| reference | envipathM:...6faf93902985 |
| formula | C20H19N2O10 |
| global charge | -1 |
| mol weight | 447.376 |
| InChIKey | UWKGQPFCWXKYMB-UHFFFAOYSA-M |
| InChI | InChI=1S/C20H20N2O10/c23-10-21-12-5-3-11(4-6-12)16(25)15-14(24)9-13(17(26)18(15)27)22-19(28)31-7-1-2-8-32-20(29)30/h3-6,9,16,24-27H,1-2,7-8H2,(H,22,28)(H,29,30)/p-1 |
| SMILES | O=C=NC1=CC=C(C(O)C2=C(O)C(O)=C(NC(=O)OCCCCOC(=O)[O-])C=C2O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C20H20N2O10/c23-10-21-12-5-3-11(4-6-12)16(25)15-14(24)9-13(17(26)18(15)27)22-19(28)31-7-1-2-8-32-20(29)30/h3-6,9,16,24-27H,1-2,7-8H2,(H,22,28)(H,29,30)/t16? |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:8][O:32][C:20](=[O:29])[OH:30])[CH2:7][O:31][C:19](=[N:22][C:13]1=[CH:9][C:14]([OH:24])=[C:15]([CH:16]([C:11]2=[CH:4][CH:6]=[C:12]([N:21]=[C:10]=[O:23])[CH:5]=[CH:3]2)[OH:25])[C:18]([OH:27])=[C:17]1[OH:26])[OH:28] |
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