| Properties | Image | Occurences in reactions |
MNX_ID | MNXM727836 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 3 |
in models (compartimentalized) |
0 |
|
formula | C27H30O16 |
charge | 0 |
mass | 610.521 |
reference | seedM:cpd21040 |
InChIKey | MCTZMXCUYPDYNE-KUKMIBIMSA-N |
InChI | InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(39-8)43-25-19(34)16-13(31)5-10(40-27-23(38)21(36)18(33)15(7-28)42-27)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27?/m0/s1 |
SMILES | [CH3:1][C@H:8]1[C@H:17]([OH:32])[C@@H:20]([OH:35])[C@@H:22]([OH:37])[C@@H:26]([O:43][c:25]2[c:19](=[O:34])[c:16]3[c:13]([OH:31])[cH:5][c:10]([O:40][CH:27]4[C@H:23]([OH:38])[C@@H:21]([OH:36])[C@H:18]([OH:33])[C@@H:15]([CH2:7][OH:28])[O:42]4)[cH:6][c:14]3[o:41][c:24]2-[c:9]2[cH:2][cH:3][c:11]([OH:29])[c:12]([OH:30])[cH:4]2)[O:39]1 |
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