| Properties | Image |
|---|
| MNX_ID | MNXM683050 |
 |
| reference | metacycM:CPD-19124 |
| formula | C32H54O15 |
| global charge | 0 |
| mol weight | 678.769 |
| InChIKey | ARDBGAXJBHFKTL-QXNFOFCISA-N |
| InChI | InChI=1S/C32H54O15/c1-9-19(8)30(40)45-28-26(39)31(42-20(13-33)27(28)43-23(36)11-17(4)5)47-32(15-34)29(44-24(37)12-18(6)7)25(38)21(46-32)14-41-22(35)10-16(2)3/h16-21,25-29,31,33-34,38-39H,9-15H2,1-8H3/t19?,20-,21-,25-,26-,27-,28-,29+,31-,32+/m1/s1 |
| SMILES | CCC(C)C(=O)O[C@@H]1[C@@H](O)[C@@H](O[C@]2(CO)O[C@H](COC(=O)CC(C)C)[C@@H](O)[C@@H]2OC(=O)CC(C)C)O[C@H](CO)[C@H]1OC(=O)CC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C32H54O15/c1-9-19(8)30(40)45-28-26(39)31(42-20(13-33)27(28)43-23(36)11-17(4)5)47-32(15-34)29(44-24(37)12-18(6)7)25(38)21(46-32)14-41-22(35)10-16(2)3/h16-21,25-29,31,33-34,38-39H,9-15H2,1-8H3/t19?,20-,21-,25-,26-,27-,28-,29+,31-,32+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:9][CH:19]([CH3:8])[C:30](=[O:40])[O:45][C@@H:28]1[C@@H:26]([OH:39])[C@@H:31]([O:47][C@@:32]2([CH2:15][OH:34])[C@@H:29]([O:44][C:24]([CH2:12][CH:18]([CH3:6])[CH3:7])=[O:37])[C@H:25]([OH:38])[C@@H:21]([CH2:14][O:41][C:22]([CH2:10][CH:16]([CH3:2])[CH3:3])=[O:35])[O:46]2)[O:42][C@H:20]([CH2:13][OH:33])[C@H:27]1[O:43][C:23]([CH2:11][CH:17]([CH3:4])[CH3:5])=[O:36] |
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