| Properties | Image |
|---|
| MNX_ID | MNXM105884 |
 |
| reference | chebi:66118 |
| formula | C37H48N4O9 |
| global charge | 0 |
| mol weight | 692.81 |
| InChIKey | FOEVCQQBKHZRMA-YSCUOIDASA-N |
| InChI | InChI=1S/C37H48N4O9/c1-21-16-22(2)18-24(4)49-32(43)19-30(26-12-14-27(42)15-13-26)39-34(45)31(41(6)35(46)25(5)38-33(44)23(3)17-21)20-37(48-7)28-10-8-9-11-29(28)40-36(47)50-37/h8-16,22-25,30-31,42H,17-20H2,1-7H3,(H,38,44)(H,39,45)(H,40,47)/b21-16+/t22-,23-,24-,25-,30+,31?,37?/m0/s1 |
| SMILES | COC1(CC2C(=O)N[C@@H](C3=CC=C(O)C=C3)CC(=O)O[C@@H](C)C[C@@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N2C)OC(=O)NC2=CC=CC=C21 |
MNX internals
| InChI (mnx) | InChI=1/C37H48N4O9/c1-21-16-22(2)18-24(4)49-32(43)19-30(26-12-14-27(42)15-13-26)39-34(45)31(41(6)35(46)25(5)38-33(44)23(3)17-21)20-37(48-7)28-10-8-9-11-29(28)40-36(47)50-37/h8-16,22-25,30-31,42H,17-20H2,1-7H3,(H,38,44)(H,39,45)(H,40,47)/b21-16+/t22-,23-,24-,25-,30+,31?,37?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1]/[C:21]1=[CH:16]\[C@H:22]([CH3:2])[CH2:18][C@H:24]([CH3:4])[O:49][C:32](=[O:43])[CH2:19][C@H:30]([C:26]2=[CH:13][CH:15]=[C:27]([OH:42])[CH:14]=[CH:12]2)[N:39]=[C:34]([OH:45])[CH:31]([CH2:20][C:37]2([O:48][CH3:7])[C:28]3=[CH:10][CH:8]=[CH:9][CH:11]=[C:29]3[N:40]=[C:36]([OH:47])[O:50]2)[N:41]([CH3:6])[C:35](=[O:46])[C@H:25]([CH3:5])[N:38]=[C:33]([OH:44])[C@@H:23]([CH3:3])[CH2:17]1 |
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