| Properties | Image |
|---|
| MNX_ID | MNXM63580 |
 |
| reference | keggC:C07032 |
| formula | C24H31N7O6 |
| global charge | 0 |
| mol weight | 513.555 |
| InChIKey | LADKVYSQIGJMFP-IYRMOJGWSA-N |
| InChI | InChI=1S/C24H31N7O6/c1-13(33)28-16(9-14-5-7-15(36-4)8-6-14)23(35)29-18-17(10-32)37-24(20(18)34)31-12-27-19-21(30(2)3)25-11-26-22(19)31/h5-8,11-12,16-18,20,24,32,34H,9-10H2,1-4H3,(H,28,33)(H,29,35)/t16-,17+,18+,20+,24+/m0/s1 |
| SMILES | COC1=CC=C(C[C@H](NC(C)=O)C(=O)N[C@H]2[C@@H](O)[C@H](N3C=NC4=C3N=CN=C4N(C)C)O[C@@H]2CO)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C24H31N7O6/c1-13(33)28-16(9-14-5-7-15(36-4)8-6-14)23(35)29-18-17(10-32)37-24(20(18)34)31-12-27-19-21(30(2)3)25-11-26-22(19)31/h5-8,11-12,16-18,20,24,32,34H,9-10H2,1-4H3,(H,28,33)(H,29,35)/t16-,17+,18+,20+,24+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:13](=[N:28][C@@H:16]([CH2:9][C:14]1=[CH:6][CH:8]=[C:15]([O:36][CH3:4])[CH:7]=[CH:5]1)[C:23](=[N:29][C@@H:18]1[C@@H:17]([CH2:10][OH:32])[O:37][C@@H:24]([N:31]2[CH:12]=[N:27][C:19]3=[C:21]([N:30]([CH3:2])[CH3:3])[N:25]=[CH:11][N:26]=[C:22]32)[C@@H:20]1[OH:34])[OH:35])[OH:33] |
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