| Properties | Image |
|---|
| MNX_ID | MNXM31099 |
 |
| reference | chebi:77602 |
| formula | C24H25FNNaO4 |
| global charge | 0 |
| mol weight | 433.455 |
| InChIKey | ZGGHKIMDNBDHJB-NRFPMOEYSA-M |
| InChI | InChI=1S/C24H26FNO4.Na/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30;/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30);/q;+1/p-1/b12-11+;/t18-,19-;/m1./s1 |
| SMILES | CC(C)N1C2=C(C=CC=C2)C(C2=CC=C(F)C=C2)=C1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+] |
MNX internals
| InChI (mnx) | InChI=1/C24H26FNO4.Na/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30;/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30);/q;+1/b12-11+;/t18-,19-;/m1./s1 |
 |
| SMILES (mnx) | [CH3:1][CH:15]([CH3:2])[N:26]1[C:21]2=[CH:6][CH:4]=[CH:3][CH:5]=[C:20]2[C:24]([C:16]2=[CH:8][CH:10]=[C:17]([F:25])[CH:9]=[CH:7]2)=[C:22]1/[CH:12]=[CH:11]/[C@H:18]([CH2:13][C@H:19]([CH2:14][C:23](=[O:29])[OH:30])[OH:28])[OH:27].[Na+:31] |
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