| Properties | Image |
|---|
| MNX_ID | MNXM108075 |
 |
| reference | chebi:68238 |
| formula | C24H28N2O6 |
| global charge | 0 |
| mol weight | 440.496 |
| InChIKey | KUDPXYYGDAJFNU-OFBLZTNGSA-N |
| InChI | InChI=1S/C24H28N2O6/c1-22(7-6-17(29)26-18-14(27)4-3-13(19(18)30)21(25)31)16(28)5-8-24-10-12-9-15(20(22)24)32-23(12,2)11-24/h3-5,8,12,15,20,27,30H,6-7,9-11H2,1-2H3,(H2,25,31)(H,26,29)/t12-,15+,20+,22-,23+,24+/m1/s1 |
| SMILES | C[C@]12C[C@@]34C=CC(=O)[C@@](C)(CCC(=O)NC5=C(O)C=CC(C(N)=O)=C5O)[C@@H]3[C@H](C[C@@H]1C4)O2 |
MNX internals
| InChI (mnx) | InChI=1/C24H28N2O6/c1-22(7-6-17(29)26-18-14(27)4-3-13(19(18)30)21(25)31)16(28)5-8-24-10-12-9-15(20(22)24)32-23(12,2)11-24/h3-5,8,12,15,20,27,30H,6-7,9-11H2,1-2H3,(H2,25,31)(H,26,29)/t12-,15+,20+,22-,23+,24+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@:22]1([CH2:7][CH2:6][C:17](=[N:26][C:18]2=[C:14]([OH:27])[CH:4]=[CH:3][C:13]([C:21](=[NH:25])[OH:31])=[C:19]2[OH:30])[OH:29])[C:16](=[O:28])[CH:5]=[CH:8][C@@:24]23[CH2:10][C@H:12]4[CH2:9][C@@H:15]([C@@H:20]12)[O:32][C@@:23]4([CH3:2])[CH2:11]3 |
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