| Properties | Image |
|---|
| MNX_ID | MNXM105479 |
 |
| reference | chebi:67404 |
| formula | C25H40O11 |
| global charge | 0 |
| mol weight | 516.584 |
| InChIKey | HNFRYUMXAKNBBJ-AHXVQEEHSA-N |
| InChI | InChI=1S/C25H40O11/c1-11-8-14(27)9-25(4,5)15(11)7-6-12(2)33-24-22(20(31)18(29)16(10-26)35-24)36-23-21(32)19(30)17(28)13(3)34-23/h6-8,12-13,15-24,26,28-32H,9-10H2,1-5H3/b7-6+/t12-,13+,15-,16-,17+,18-,19-,20+,21-,22-,23+,24-/m1/s1 |
| SMILES | CC1=CC(=O)CC(C)(C)[C@@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C25H40O11/c1-11-8-14(27)9-25(4,5)15(11)7-6-12(2)33-24-22(20(31)18(29)16(10-26)35-24)36-23-21(32)19(30)17(28)13(3)34-23/h6-8,12-13,15-24,26,28-32H,9-10H2,1-5H3/b7-6+/t12-,13+,15-,16-,17+,18-,19-,20+,21-,22-,23+,24-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:11]1=[CH:8][C:14](=[O:27])[CH2:9][C:25]([CH3:4])([CH3:5])[C@@H:15]1/[CH:7]=[CH:6]/[C@@H:12]([CH3:2])[O:33][C@H:24]1[C@H:22]([O:36][C@H:23]2[C@H:21]([OH:32])[C@H:19]([OH:30])[C@@H:17]([OH:28])[C@H:13]([CH3:3])[O:34]2)[C@@H:20]([OH:31])[C@H:18]([OH:29])[C@@H:16]([CH2:10][OH:26])[O:35]1 |
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