| Properties | Image |
|---|
| MNX_ID | MNXM744666 |
 |
| reference | biggM:crvsm1 |
| formula | C24H29FNNaO5 |
| global charge | 0 |
| mol weight | 453.486 |
| InChIKey | ABNPJGRFUJUANS-RRABGKBLSA-M |
| InChI | InChI=1S/C24H30FNO5.Na/c1-13(2)22-18(10-9-17(28)11-20(29)24(30)31)21(15-5-7-16(25)8-6-15)19(12-27)23(26-22)14(3)4;/h5-10,13-14,17,20,27-29H,11-12H2,1-4H3,(H,30,31);/q;+1/p-1/b10-9+; |
| SMILES | CC(C)C1=NC(C(C)C)=C(/C=C/C(O)CC(O)C(=O)O[Na])C(C2=CC=C(F)C=C2)=C1CO |
MNX internals
| InChI (mnx) | InChI=1/C24H30FNO5.Na/c1-13(2)22-18(10-9-17(28)11-20(29)24(30)31)21(15-5-7-16(25)8-6-15)19(12-27)23(26-22)14(3)4;/h5-10,13-14,17,20,27-29H,11-12H2,1-4H3,(H,30,31);/q;+1/b10-9+;/t17?,20?; |
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| SMILES (mnx) | [CH3:1][CH:13]([CH3:2])[C:22]1=[N:26][C:23]([CH:14]([CH3:3])[CH3:4])=[C:19]([CH2:12][OH:27])[C:21]([C:15]2=[CH:6][CH:8]=[C:16]([F:25])[CH:7]=[CH:5]2)=[C:18]1/[CH:10]=[CH:9]/[CH:17]([CH2:11][CH:20]([C:24](=[O:30])[OH:31])[OH:29])[OH:28].[Na+:32] |
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