| Properties | Image |
|---|
| MNX_ID | MNXM1188461 |
 |
| reference | envipathM:...b270334c0817 |
| formula | C15H20O8 |
| global charge | 0 |
| mol weight | 328.317 |
| InChIKey | GJMSFHBCYUAGHC-BMTCLBQJSA-N |
| InChI | InChI=1S/C15H20O8/c1-7-3-9(18)14(5-16,12(21)23-11(7)20)13(2)4-8(17)10(19)15(13)6-22-15/h3,8-9,12,16-18,21H,4-6H2,1-2H3/t8-,9-,12-,13-,14-,15+/m1/s1 |
| SMILES | CC1=C[C@@H](O)[C@@](CO)([C@@]2(C)C[C@@H](O)C(=O)[C@@]23CO3)[C@H](O)OC1=O |
MNX internals
| InChI (mnx) | InChI=1/C15H20O8/c1-7-3-9(18)14(5-16,12(21)23-11(7)20)13(2)4-8(17)10(19)15(13)6-22-15/h3,8-9,12,16-18,21H,4-6H2,1-2H3/t8-,9-,12-,13-,14-,15+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:7]1=[CH:3][C@@H:9]([OH:18])[C@@:14]([CH2:5][OH:16])([C@@:13]2([CH3:2])[CH2:4][C@@H:8]([OH:17])[C:10](=[O:19])[C@@:15]23[CH2:6][O:22]3)[C@H:12]([OH:21])[O:23][C:11]1=[O:20] |
|