| Properties | Image |
|---|
| MNX_ID | MNXM1108361 |
 |
| reference | seedM:cpd23988 |
| formula | C55H70N4O6 |
| global charge | 0 |
| mol weight | 883.187 |
| InChIKey | SIOOJAFYBPTJDO-XJVNDSBISA-N |
| InChI | InChI=1S/C55H70N4O6/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42/h12,25,27-33,36,40,59H,1,13-24,26H2,2-11H3/b34-25+,43-27-,45-29-,46-28-/t32-,33-,36+,40+/m1/s1 |
| SMILES | C=CC1=C(C)C2=N/C1=C\C1=N/C(=C\C3=C(C)C4=C(N3)C(=C(C(=O)OC)C4=O)C3=N/C(=C\2)[C@@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(CC)=C1C=O |
MNX internals
| InChI (mnx) | InChI=1/C55H70N4O6/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42/h12,25,27-33,36,40,59H,1,13-24,26H2,2-11H3/b34-25+,43-27-,45-29-,46-28-/t32-,33-,36+,40+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[CH:12][C:38]1=[C:35]([CH3:8])[C:42]2=[N:56]/[C:45]1=[CH:29]\[C:47]1=[N:57]/[C:46](=[CH:28]\[C:44]3=[C:37]([CH3:10])[C:49]4=[C:53]([C:50](=[C:51]([C:55](=[O:63])[O:64][CH3:11])[C:54]4=[O:62])[C:52]4=[N:58]\[C:43](=[CH:27]/2)[C@@H:36]([CH3:9])[C@@H:40]4[CH2:23][CH2:24][C:48](=[O:61])[O:65][CH2:26]/[CH:25]=[C:34](\[CH3:7])[CH2:22][CH2:16][CH2:21][C@H:33]([CH3:6])[CH2:20][CH2:15][CH2:19][C@H:32]([CH3:5])[CH2:18][CH2:14][CH2:17][CH:31]([CH3:3])[CH3:4])[NH:59]3)[C:39]([CH2:13][CH3:2])=[C:41]1[CH:30]=[O:60] |
|