| Properties | Image | Occurences in reactions |
MNX_ID | MNXM1377049 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 2 |
in models (compartimentalized) |
0 |
|
formula | C27H30O15 |
charge | 0 |
mass | 594.522 |
reference | seedM:cpd25006 |
InChIKey | MBLYALXOUBKFNE-SNHGZWRKSA-N |
InChI | InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(38-9)42-25-19(33)16-13(30)6-12(39-27-23(37)21(35)18(32)15(8-28)41-27)7-14(16)40-24(25)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27?/m0/s1 |
SMILES | [CH3:1][C@H:9]1[C@H:17]([OH:31])[C@@H:20]([OH:34])[C@@H:22]([OH:36])[C@@H:26]([O:42][c:25]2[c:19](=[O:33])[c:16]3[c:13]([OH:30])[cH:6][c:12]([O:39][CH:27]4[C@H:23]([OH:37])[C@@H:21]([OH:35])[C@H:18]([OH:32])[C@@H:15]([CH2:8][OH:28])[O:41]4)[cH:7][c:14]3[o:40][c:24]2-[c:10]2[cH:2][cH:4][c:11]([OH:29])[cH:5][cH:3]2)[O:38]1 |
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