| Properties | Image |
|---|
| MNX_ID | MNXM683057 |
 |
| reference | metacycM:CPD-19054 |
| formula | C26H44O14 |
| global charge | 0 |
| mol weight | 580.624 |
| InChIKey | ILXHRXMLJGQOQV-NTOMXLCZSA-N |
| InChI | InChI=1S/C26H44O14/c1-12(2)7-17(30)36-21-16(10-28)35-25(20(33)22(21)38-24(34)14(5)6)40-26(11-29)23(19(32)15(9-27)39-26)37-18(31)8-13(3)4/h12-16,19-23,25,27-29,32-33H,7-11H2,1-6H3/t15-,16-,19-,20-,21-,22-,23+,25-,26+/m1/s1 |
| SMILES | CC(C)CC(=O)O[C@H]1[C@H](OC(=O)C(C)C)[C@@H](O)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)CC(C)C)O[C@@H]1CO |
MNX internals
| InChI (mnx) | InChI=1/C26H44O14/c1-12(2)7-17(30)36-21-16(10-28)35-25(20(33)22(21)38-24(34)14(5)6)40-26(11-29)23(19(32)15(9-27)39-26)37-18(31)8-13(3)4/h12-16,19-23,25,27-29,32-33H,7-11H2,1-6H3/t15-,16-,19-,20-,21-,22-,23+,25-,26+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:12]([CH3:2])[CH2:7][C:17](=[O:30])[O:36][C@@H:21]1[C@@H:16]([CH2:10][OH:28])[O:35][C@H:25]([O:40][C@@:26]2([CH2:11][OH:29])[C@@H:23]([O:37][C:18]([CH2:8][CH:13]([CH3:3])[CH3:4])=[O:31])[C@H:19]([OH:32])[C@@H:15]([CH2:9][OH:27])[O:39]2)[C@H:20]([OH:33])[C@H:22]1[O:38][C:24]([CH:14]([CH3:5])[CH3:6])=[O:34] |
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