| Properties | Image |
|---|
| MNX_ID | MNXM160833 |
 |
| reference | chebi:52892 |
| formula | C52H59N4O19 |
| global charge | 1 |
| mol weight | 1044.053 |
| InChIKey | WVFBOQGCAKHVGN-UHFFFAOYSA-N |
| InChI | InChI=1S/C52H59N4O19/c1-32-10-16-42(55(24-48(61)71-28-67-33(2)57)25-49(62)72-29-68-34(3)58)46(20-32)65-18-19-66-47-21-37(11-17-43(47)56(26-50(63)73-30-69-35(4)59)27-51(64)74-31-70-36(5)60)52-40-14-12-38(53(6)7)22-44(40)75-45-23-39(54(8)9)13-15-41(45)52/h10-17,20-23H,18-19,24-31H2,1-9H3/q+1 |
| SMILES | CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)C1=CC=C(C)C=C1OCCOC1=CC(C2=C3C=CC(=[N+](C)C)C=C3OC3=CC(N(C)C)=CC=C32)=CC=C1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C52H59N4O19/c1-32-10-16-42(55(24-48(61)71-28-67-33(2)57)25-49(62)72-29-68-34(3)58)46(20-32)65-18-19-66-47-21-37(11-17-43(47)56(26-50(63)73-30-69-35(4)59)27-51(64)74-31-70-36(5)60)52-40-14-12-38(53(6)7)22-44(40)75-45-23-39(54(8)9)13-15-41(45)52/h10-17,20-23H,18-19,24-31H2,1-9H3/q+1 |
 |
| SMILES (mnx) | [CH3:1][C:32]1=[CH:20][C:46]([O:65][CH2:18][CH2:19][O:66][C:47]2=[C:43]([N:56]([CH2:26][C:50](=[O:63])[O:73][CH2:30][O:69][C:35]([CH3:4])=[O:59])[CH2:27][C:51](=[O:64])[O:74][CH2:31][O:70][C:36]([CH3:5])=[O:60])[CH:17]=[CH:11][C:37]([C:52]3=[C:41]4[CH:15]=[CH:13][C:39]([N:54]([CH3:8])[CH3:9])=[CH:23][C:45]4=[O+:75][C:44]4=[C:40]3[CH:14]=[CH:12][C:38]([N:53]([CH3:6])[CH3:7])=[CH:22]4)=[CH:21]2)=[C:42]([N:55]([CH2:24][C:48](=[O:61])[O:71][CH2:28][O:67][C:33]([CH3:2])=[O:57])[CH2:25][C:49](=[O:62])[O:72][CH2:29][O:68][C:34]([CH3:3])=[O:58])[CH:16]=[CH:10]1 |
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