| Properties | Image |
|---|
| MNX_ID | MNXM103305 |
 |
| reference | chebi:68925 |
| formula | C19H27NO9 |
| global charge | 0 |
| mol weight | 413.423 |
| InChIKey | QKHYSKWZRQYVRE-JYHHGOMKSA-N |
| InChI | InChI=1S/C19H27NO9/c1-18(2,27)12(22)7-19(28)9-5-3-4-6-10(9)20(17(19)26)16-15(25)14(24)13(23)11(8-21)29-16/h3-6,11-16,21-25,27-28H,7-8H2,1-2H3/t11-,12+,13-,14+,15-,16-,19-/m1/s1 |
| SMILES | CC(C)(O)[C@@H](O)C[C@]1(O)C(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2=C1C=CC=C2 |
MNX internals
| InChI (mnx) | InChI=1/C19H27NO9/c1-18(2,27)12(22)7-19(28)9-5-3-4-6-10(9)20(17(19)26)16-15(25)14(24)13(23)11(8-21)29-16/h3-6,11-16,21-25,27-28H,7-8H2,1-2H3/t11-,12+,13-,14+,15-,16-,19-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:18]([CH3:2])([C@H:12]([CH2:7][C@@:19]1([OH:28])[C:9]2=[CH:5][CH:3]=[CH:4][CH:6]=[C:10]2[N:20]([C@H:16]2[C@H:15]([OH:25])[C@@H:14]([OH:24])[C@H:13]([OH:23])[C@@H:11]([CH2:8][OH:21])[O:29]2)[C:17]1=[O:26])[OH:22])[OH:27] |
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