| Properties | Image | Occurences in reactions |
MNX_ID | MNXM1100633 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C27H37N2O9 |
charge | 1 |
mass | 533.24936 |
reference | metacycM:CPD-19533 |
InChIKey | HZZMXWZOTXPILK-AWTFMMIESA-O |
InChI | InChI=1S/C27H36N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h4-7,12-13,16,19-20,22-24,26-33H,3,8-11H2,1-2H3/p+1/t13-,16+,19+,20+,22+,23-,24+,26+,27-/m1/s1 |
SMILES | CC[C@H]1[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1[NH2+]CCc2c1[nH]c1ccccc21 |
|