| Properties | Image |
|---|
| MNX_ID | MNXM1129292 |
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| reference | chebi:172665 |
| formula | C19H24N2O9 |
| global charge | 0 |
| mol weight | 424.406 |
| InChIKey | ABFAMHIWAGQWGO-CTRAYCPCSA-N |
| InChI | InChI=1S/C19H24N2O9/c1-10(22)20-8-6-18(27)14(23)15(30-19(28-2,16(18)24)17(25)26)29-12-4-3-11-5-7-21-13(11)9-12/h3-5,7,9,14-16,21,23-24,27H,6,8H2,1-2H3,(H,20,22)(H,25,26)/t14-,15+,16-,18+,19-/m0/s1 |
| SMILES | CO[C@]1(C(=O)O)O[C@@H](OC2=CC=C3C=CNC3=C2)[C@H](O)[C@](O)(CCNC(C)=O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C19H24N2O9/c1-10(22)20-8-6-18(27)14(23)15(30-19(28-2,16(18)24)17(25)26)29-12-4-3-11-5-7-21-13(11)9-12/h3-5,7,9,14-16,21,23-24,27H,6,8H2,1-2H3,(H,20,22)(H,25,26)/t14-,15+,16-,18+,19-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:10](=[N:20][CH2:8][CH2:6][C@@:18]1([OH:27])[C@@H:14]([OH:23])[C@H:15]([O:29][C:12]2=[CH:9][C:13]3=[C:11]([CH:3]=[CH:4]2)[CH:5]=[CH:7][NH:21]3)[O:30][C@@:19]([C:17](=[O:25])[OH:26])([O:28][CH3:2])[C@H:16]1[OH:24])[OH:22] |
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