| Properties | Image |
|---|
| MNX_ID | MNXM1182058 |
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| reference | envipathM:...6eed898236e1 |
| formula | C18H19NO10 |
| global charge | -2 |
| mol weight | 409.347 |
| InChIKey | WMZAEOXVOARNAL-UHFFFAOYSA-L |
| InChI | InChI=1S/C18H21NO10/c20-13(9-28-17(25)26)5-6-27-16(24)19-12-3-1-11(2-4-12)7-18(10-29-18)8-14(21)15(22)23/h1-4,13,20H,5-10H2,(H,19,24)(H,22,23)(H,25,26)/p-2 |
| SMILES | O=C([O-])OCC(O)CCOC(=O)NC1=CC=C(CC2(CC(=O)C(=O)[O-])CO2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C18H21NO10/c20-13(9-28-17(25)26)5-6-27-16(24)19-12-3-1-11(2-4-12)7-18(10-29-18)8-14(21)15(22)23/h1-4,13,20H,5-10H2,(H,19,24)(H,22,23)(H,25,26)/t13?,18? |
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| SMILES (mnx) | [CH:1]1=[CH:3][C:12]([NH:19][C:16](=[O:24])[O:27][CH2:6][CH2:5][CH:13]([CH2:9][O:28][C:17](=[O:25])[OH:26])[OH:20])=[CH:4][CH:2]=[C:11]1[CH2:7][C:18]1([CH2:8][C:14]([C:15]([OH:22])=[O:23])=[O:21])[CH2:10][O:29]1 |
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