| Properties | Image |
|---|
| MNX_ID | MNXM169296 |
 |
| reference | metacycM:CPD-10309 |
| formula | C18H21O18 |
| global charge | -3 |
| mol weight | 525.348 |
| InChIKey | OJSLFVXSYWEYPC-KPCFHAMBSA-K |
| InChI | InChI=1S/C18H24O18/c19-2-1-3(13(25)26)32-17(4(2)20)34-10-6(22)8(24)18(36-12(10)15(29)30)35-9-5(21)7(23)16(31)33-11(9)14(27)28/h1-2,4-12,16-24,31H,(H,25,26)(H,27,28)(H,29,30)/p-3/t2-,4+,5+,6+,7+,8+,9+,10+,11-,12-,16?,17+,18-/m0/s1 |
| SMILES | O=C([O-])C1=C[C@H](O)[C@@H](O)[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3C(=O)[O-])O[C@@H]2C(=O)[O-])O1 |
MNX internals
| InChI (mnx) | InChI=1/C18H24O18/c19-2-1-3(13(25)26)32-17(4(2)20)34-10-6(22)8(24)18(36-12(10)15(29)30)35-9-5(21)7(23)16(31)33-11(9)14(27)28/h1-2,4-12,16-24,31H,(H,25,26)(H,27,28)(H,29,30)/t2-,4+,5+,6+,7+,8+,9+,10+,11-,12-,16?,17+,18-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[C:3]([C:13](=[O:25])[OH:26])[O:32][C@H:17]([O:34][C@@H:10]2[C@H:6]([OH:22])[C@@H:8]([OH:24])[C@@H:18]([O:35][C@@H:9]3[C@H:5]([OH:21])[C@@H:7]([OH:23])[CH:16]([OH:31])[O:33][C@@H:11]3[C:14](=[O:27])[OH:28])[O:36][C@@H:12]2[C:15](=[O:29])[OH:30])[C@H:4]([OH:20])[C@H:2]1[OH:19] |
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