| Properties | Image |
|---|
| MNX_ID | MNXM1173084 |
 |
| reference | envipathM:...1487c43f184f |
| formula | C16H17O9 |
| global charge | -3 |
| mol weight | 353.303 |
| InChIKey | ADNOEBOUCMKSFT-UHFFFAOYSA-K |
| InChI | InChI=1S/C16H20O9/c1-8(16(25,15(23)24)7-12(19)20)3-2-4-9-5-10(17)6-11(18)13(9)14(21)22/h5-6,8,17-18,25H,2-4,7H2,1H3,(H,19,20)(H,21,22)(H,23,24)/p-3 |
| SMILES | CC(CCCC1=C(C(=O)[O-])C(O)=CC(O)=C1)C(O)(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C16H20O9/c1-8(16(25,15(23)24)7-12(19)20)3-2-4-9-5-10(17)6-11(18)13(9)14(21)22/h5-6,8,17-18,25H,2-4,7H2,1H3,(H,19,20)(H,21,22)(H,23,24)/t8?,16? |
 |
| SMILES (mnx) | [CH3:1][CH:8]([CH2:3][CH2:2][CH2:4][C:9]1=[CH:5][C:10]([OH:17])=[CH:6][C:11]([OH:18])=[C:13]1[C:14](=[O:21])[OH:22])[C:16]([CH2:7][C:12](=[O:19])[OH:20])([C:15](=[O:23])[OH:24])[OH:25] |
|