| Properties | Image |
|---|
| MNX_ID | MNXM168796 |
 |
| reference | sabiorkM:28140 |
| formula | C28H42N4O17 |
| global charge | 0 |
| mol weight | 706.655 |
| InChIKey | ZLUUIDQZRVPNSL-ANYFLBAHSA-N |
| InChI | InChI=1S/C28H42N4O17/c1-11(37)30-19-22(42)21(41)17(9-35)46-27(19)47-25-18(10-36)48-28(26(23(25)43)31-12(2)38,13-3-5-14(6-4-13)32(44)45)49-24(16(39)8-34)20(40)15(29)7-33/h3-7,15-27,34-36,39-43H,8-10,29H2,1-2H3,(H,30,37)(H,31,38)/t15-,16+,17+,18+,19+,20+,21+,22+,23-,24+,25+,26+,27-,28-/m0/s1 |
| SMILES | CC(O)=N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](N=C(C)O)[C@@](O[C@@H]([C@H](O)[C@@H](N)C=O)[C@H](O)CO)(C3=CC=C([N+](=O)[O-])C=C3)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C28H42N4O17/c1-11(37)30-19-22(42)21(41)17(9-35)46-27(19)47-25-18(10-36)48-28(26(23(25)43)31-12(2)38,13-3-5-14(6-4-13)32(44)45)49-24(16(39)8-34)20(40)15(29)7-33/h3-7,15-27,34-36,39-43H,8-10,29H2,1-2H3,(H,30,37)(H,31,38)/t15-,16+,17+,18+,19+,20+,21+,22+,23-,24+,25+,26+,27-,28-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:11](=[N:30][C@@H:19]1[C@@H:22]([OH:42])[C@H:21]([OH:41])[C@@H:17]([CH2:9][OH:35])[O:46][C@H:27]1[O:47][C@@H:25]1[C@@H:18]([CH2:10][OH:36])[O:48][C@@:28]([C:13]2=[CH:4][CH:6]=[C:14]([N+:32]([O-:44])=[O:45])[CH:5]=[CH:3]2)([O:49][C@H:24]([C@@H:16]([CH2:8][OH:34])[OH:39])[C@@H:20]([C@H:15]([CH:7]=[O:33])[NH2:29])[OH:40])[C@H:26]([N:31]=[C:12]([CH3:2])[OH:38])[C@H:23]1[OH:43])[OH:37] |
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