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3,5,7,9,11,13,15,17,19-nonaoxoicosanoate
MNXM9959 is deprecated and here replaced by MNXM1372636
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM1372636 |
 |
| reference | metacycM:CPD-12955 |
| formula | C20H21O11 |
| global charge | -1 |
| mol weight | 437.377 |
| InChIKey | IIQCJOQENFQELS-UHFFFAOYSA-M |
| InChI | InChI=1S/C20H22O11/c1-11(21)2-12(22)3-13(23)4-14(24)5-15(25)6-16(26)7-17(27)8-18(28)9-19(29)10-20(30)31/h2-10H2,1H3,(H,30,31)/p-1 |
| SMILES | CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C20H22O11/c1-11(21)2-12(22)3-13(23)4-14(24)5-15(25)6-16(26)7-17(27)8-18(28)9-19(29)10-20(30)31/h2-10H2,1H3,(H,30,31) |
 |
| SMILES (mnx) | [CH3:1][C:11]([CH2:2][C:12]([CH2:3][C:13]([CH2:4][C:14]([CH2:5][C:15]([CH2:6][C:16]([CH2:7][C:17]([CH2:8][C:18]([CH2:9][C:19]([CH2:10][C:20](=[O:30])[OH:31])=[O:29])=[O:28])=[O:27])=[O:26])=[O:25])=[O:24])=[O:23])=[O:22])=[O:21] |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 3 |
| in models (compartimentalized) |
0 |
|