| Properties | Image |
|---|
| MNX_ID | MNXM683053 |
 |
| reference | metacycM:CPD-19025 |
| formula | C22H38O13 |
| global charge | 0 |
| mol weight | 510.533 |
| InChIKey | BNTSBBGKFQEZMC-RCOSXJMQSA-N |
| InChI | InChI=1S/C22H38O13/c1-5-11(4)20(30)33-18-16(28)21(31-13(8-24)17(18)32-14(26)6-10(2)3)35-22(9-25)19(29)15(27)12(7-23)34-22/h10-13,15-19,21,23-25,27-29H,5-9H2,1-4H3/t11?,12-,13-,15-,16-,17-,18-,19+,21-,22+/m1/s1 |
| SMILES | CCC(C)C(=O)O[C@@H]1[C@@H](O)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H]1OC(=O)CC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C22H38O13/c1-5-11(4)20(30)33-18-16(28)21(31-13(8-24)17(18)32-14(26)6-10(2)3)35-22(9-25)19(29)15(27)12(7-23)34-22/h10-13,15-19,21,23-25,27-29H,5-9H2,1-4H3/t11?,12-,13-,15-,16-,17-,18-,19+,21-,22+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH:11]([CH3:4])[C:20](=[O:30])[O:33][C@@H:18]1[C@@H:16]([OH:28])[C@@H:21]([O:35][C@@:22]2([CH2:9][OH:25])[C@@H:19]([OH:29])[C@H:15]([OH:27])[C@@H:12]([CH2:7][OH:23])[O:34]2)[O:31][C@H:13]([CH2:8][OH:24])[C@H:17]1[O:32][C:14]([CH2:6][CH:10]([CH3:2])[CH3:3])=[O:26] |
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