| Properties | Image |
|---|
| MNX_ID | MNXM100906 |
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| reference | chebi:68905 |
| formula | C26H22F3NO8 |
| global charge | 0 |
| mol weight | 533.455 |
| InChIKey | FXTGRMRTLHJIHI-DQRQSLJPSA-N |
| InChI | InChI=1S/C24H21NO6.C2HF3O2/c26-19-5-11-1-2-25-16-10-24(31)21(28)7-13(16)4-18(25)15-9-23(30)20(27)6-12(15)3-17(25)14(11)8-22(19)29;3-2(4,5)1(6)7/h5-10,17-18H,1-4H2,(H5-,26,27,28,29,30,31);(H,6,7)/t17-,18+,25?;/m0./s1 |
| SMILES | O=C([O-])C(F)(F)F.OC1=CC2=C(C=C1O)[C@H]1CC3=CC(O)=C(O)C=C3[N+]13CCC1=CC(O)=C(O)C=C1[C@@H]3C2 |
MNX internals
| InChI (mnx) | InChI=1/C24H21NO6.C2HF3O2/c26-19-5-11-1-2-25-16-10-24(31)21(28)7-13(16)4-18(25)15-9-23(30)20(27)6-12(15)3-17(25)14(11)8-22(19)29;3-2(4,5)1(6)7/h5-10,17-18H,1-4H2,(H5-,26,27,28,29,30,31);(H,6,7)/t17-,18+,25?;/m0./s1 |
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| SMILES (mnx) | [C:32]([C:33]([F:34])([F:35])[F:36])(=[O:37])[OH:38].[CH2:1]1[CH2:2][N+:25]23[C:16]4=[CH:10][C:24]([O-:31])=[C:21]([OH:28])[CH:7]=[C:13]4[CH2:4][C@@H:18]2[C:15]2=[CH:9][C:23]([OH:30])=[C:20]([OH:27])[CH:6]=[C:12]2[CH2:3][C@H:17]3[C:14]2=[CH:8][C:22]([OH:29])=[C:19]([OH:26])[CH:5]=[C:11]12 |
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