Feedback
6-[3-hydroxy-2-(3,5,7-trioxononanoyl)phenyl]-3,5-dioxohexanoate
MNXM164367 is deprecated and here replaced by MNXM1368581
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM1368581 |
 |
| reference | metacycM:CPD-19288 |
| formula | C21H21O9 |
| global charge | -1 |
| mol weight | 417.39 |
| InChIKey | FEZACAATIBBDPS-UHFFFAOYSA-M |
| InChI | InChI=1S/C21H22O9/c1-2-13(22)7-15(24)9-16(25)10-19(28)21-12(4-3-5-18(21)27)6-14(23)8-17(26)11-20(29)30/h3-5,27H,2,6-11H2,1H3,(H,29,30)/p-1 |
| SMILES | CCC(=O)CC(=O)CC(=O)CC(=O)C1=C(CC(=O)CC(=O)CC(=O)[O-])C=CC=C1O |
MNX internals
| InChI (mnx) | InChI=1/C21H22O9/c1-2-13(22)7-15(24)9-16(25)10-19(28)21-12(4-3-5-18(21)27)6-14(23)8-17(26)11-20(29)30/h3-5,27H,2,6-11H2,1H3,(H,29,30) |
 |
| SMILES (mnx) | [CH3:1][CH2:2][C:13]([CH2:7][C:15]([CH2:9][C:16]([CH2:10][C:19]([C:21]1=[C:12]([CH2:6][C:14]([CH2:8][C:17]([CH2:11][C:20](=[O:29])[OH:30])=[O:26])=[O:23])[CH:4]=[CH:3][CH:5]=[C:18]1[OH:27])=[O:28])=[O:25])=[O:24])=[O:22] |
|
| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 2 |
| in models (compartimentalized) |
0 |
|