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brassinolide 22-O-sulfate
MNXM819795 is deprecated and replaced by MNXM818378
| Properties | Image | Occurences in reactions |
MNX_ID | MNXM818378 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 1 |
in models (compartimentalized) |
0 |
|
formula | C28H47O9S |
charge | -1 |
mass | 559.29463 |
reference | metacycM:CPD-19794 |
InChIKey | MDJSEODEPHDJBE-XZDDVQLQSA-M |
InChI | InChI=1S/C28H48O9S/c1-14(2)15(3)24(31)25(37-38(33,34)35)16(4)18-7-8-19-17-13-36-26(32)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-31H,7-13H2,1-6H3,(H,33,34,35)/p-1/t15-,16-,17?,18?,19-,20?,21+,22-,23+,24+,25+,27+,28+/m0/s1 |
SMILES | CC(C)[C@H](C)[C@@H](O)[C@H](OS(=O)(=O)[O-])[C@@H](C)C1CC[C@H]2C3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)C3CC[C@]12C |
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Parent-child relations graph |
Deprecated MNXref IDs graph |