| Properties | Image |
|---|
| MNX_ID | MNXM1177116 |
 |
| reference | envipathM:...9272ed745e2e |
| formula | C14H18O9 |
| global charge | -4 |
| mol weight | 330.289 |
| InChIKey | SHLGGJNEAHDFDB-UHFFFAOYSA-J |
| InChI | InChI=1S/C14H22O9/c1-3-14(23,13(21)22)6-9(12(19)20)5-8(11(17)18)4-7(2)10(15)16/h7-9,23H,3-6H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/p-4 |
| SMILES | CCC(O)(CC(CC(CC(C)C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C14H22O9/c1-3-14(23,13(21)22)6-9(12(19)20)5-8(11(17)18)4-7(2)10(15)16/h7-9,23H,3-6H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t7?,8?,9?,14? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][C:14]([CH2:6][CH:9]([CH2:5][CH:8]([CH2:4][CH:7]([CH3:2])[C:10](=[O:15])[OH:16])[C:11](=[O:17])[OH:18])[C:12](=[O:19])[OH:20])([C:13](=[O:21])[OH:22])[OH:23] |
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