| Properties | Image |
| MNX_ID | MNXM149078 |
 |
| reference | metacycM:INDOL-YLACETYL-MYO-INOSITOL-ARABINOSIDE |
| formula | C21H27NO11 |
| global charge | 0 |
| mol weight | 469.443 |
| InChIKey | RSJCNPKYAYZLFB-POJWULBDSA-N |
| InChI | InChI=1S/C21H27NO11/c23-11-7-31-21(18(30)13(11)25)33-20-17(29)15(27)14(26)16(28)19(20)32-12(24)5-8-6-22-10-4-2-1-3-9(8)10/h1-4,6,11,13-23,25-30H,5,7H2/t11-,13-,14+,15+,16+,17-,18+,19+,20+,21+/m0/s1 |
| SMILES | O=C(Cc1c[nH]c2ccccc12)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O[C@H]1OC[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C21H27NO11/c23-11-7-31-21(18(30)13(11)25)33-20-17(29)15(27)14(26)16(28)19(20)32-12(24)5-8-6-22-10-4-2-1-3-9(8)10/h1-4,6,11,13-23,25-30H,5,7H2/t11-,13-,14+,15+,16+,17-,18+,19+,20+,21+/m0/s1 |
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| SMILES (mnx) | [cH:1]1[cH:2][cH:4][c:10]2[c:9]([cH:3]1)[c:8]([CH2:5][C:12](=[O:24])[O:32][C@@H:19]1[C@H:16]([OH:28])[C@H:14]([OH:26])[C@@H:15]([OH:27])[C@H:17]([OH:29])[C@H:20]1[O:33][C@@H:21]1[C@H:18]([OH:30])[C@@H:13]([OH:25])[C@@H:11]([OH:23])[CH2:7][O:31]1)[cH:6][nH:22]2 |
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