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castasterone 22-O-sulfate
MNXM819796 is deprecated and replaced by MNXM818379
| Properties | Image | Occurences in reactions |
MNX_ID | MNXM818379 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 1 |
in models (compartimentalized) |
0 |
|
formula | C28H47O8S |
charge | -1 |
mass | 543.29971 |
reference | metacycM:CPD-19795 |
InChIKey | JMSXZQCXTAJBSO-YLNAYWRASA-M |
InChI | InChI=1S/C28H48O8S/c1-14(2)15(3)25(32)26(36-37(33,34)35)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-32H,7-13H2,1-6H3,(H,33,34,35)/p-1/t15-,16-,17-,18+,19-,20-,21+,23-,24+,25+,26+,27+,28+/m0/s1 |
SMILES | CC(C)[C@H](C)[C@@H](O)[C@H](OS(=O)(=O)[O-])[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C |
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Parent-child relations graph |
Deprecated MNXref IDs graph |