| Properties | Image |
|---|
| MNX_ID | MNXM1129901 |
 |
| reference | chebi:178007 |
| formula | C16H18O9 |
| global charge | 0 |
| mol weight | 354.311 |
| InChIKey | CWVRJTMFETXNAD-FDEOVNINSA-N |
| InChI | InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11?,12?,14?,16-/m1/s1 |
| SMILES | O=C(/C=C/C1=CC(O)=C(O)C=C1)OC1C[C@@](O)(C(=O)O)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11?,12?,14?,16-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:9]([OH:17])=[C:10]([OH:18])[CH:5]=[C:8]1/[CH:2]=[CH:4]/[C:13](=[O:20])[O:25][CH:12]1[CH2:7][C@:16]([C:15](=[O:22])[OH:23])([OH:24])[CH2:6][CH:11]([OH:19])[CH:14]1[OH:21] |
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