| Properties | Image |
|---|
| MNX_ID | MNXM726387 |
 |
| reference | metacycM:CPD-13439 |
| formula | C30H48O24 |
| global charge | 0 |
| mol weight | 792.69 |
| InChIKey | YKYIBFHYGKNHKT-XNHDDFGWSA-N |
| InChI | InChI=1S/C30H48O24/c31-1-6-11(34)14(37)15(38)27(47-6)51-20-9-4-44-24(20)19(42)30(50-9)54-23-13(36)8(3-33)48-28(17(23)40)52-21-10-5-45-25(21)18(41)29(49-10)53-22-12(35)7(2-32)46-26(43)16(22)39/h6-43H,1-5H2/t6-,7-,8-,9+,10+,11+,12+,13+,14+,15-,16-,17-,18+,19+,20-,21-,22+,23+,24+,25+,26-,27+,28+,29+,30+/m1/s1 |
| SMILES | OC[C@H]1O[C@@H](O[C@H]2[C@H]3OC[C@@H]2O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H]5OC[C@@H]4O[C@@H](O[C@@H]4[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]4O)[C@H]5O)[C@@H]2O)[C@H]3O)[C@H](O)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C30H48O24/c31-1-6-11(34)14(37)15(38)27(47-6)51-20-9-4-44-24(20)19(42)30(50-9)54-23-13(36)8(3-33)48-28(17(23)40)52-21-10-5-45-25(21)18(41)29(49-10)53-22-12(35)7(2-32)46-26(43)16(22)39/h6-43H,1-5H2/t6-,7-,8-,9+,10+,11+,12+,13+,14+,15-,16-,17-,18+,19+,20-,21-,22+,23+,24+,25+,26-,27+,28+,29+,30+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]([C@@H:6]1[C@H:11]([OH:34])[C@H:14]([OH:37])[C@@H:15]([OH:38])[C@H:27]([O:51][C@@H:20]2[C@@H:9]3[CH2:4][O:44][C@H:24]2[C@H:19]([OH:42])[C@H:30]([O:54][C@H:23]2[C@@H:13]([OH:36])[C@@H:8]([CH2:3][OH:33])[O:48][C@@H:28]([O:52][C@@H:21]4[C@@H:10]5[CH2:5][O:45][C@H:25]4[C@H:18]([OH:41])[C@H:29]([O:53][C@H:22]4[C@@H:12]([OH:35])[C@@H:7]([CH2:2][OH:32])[O:46][C@@H:26]([OH:43])[C@@H:16]4[OH:39])[O:49]5)[C@@H:17]2[OH:40])[O:50]3)[O:47]1)[OH:31] |
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