| Properties | Image |
|---|
| MNX_ID | MNXM1173649 |
 |
| reference | envipathM:...72d481149b6f |
| formula | C50H64N6O13 |
| global charge | 0 |
| mol weight | 957.091 |
| InChIKey | AUUQIMHFHBHHNV-UHFFFAOYSA-N |
| InChI | InChI=1S/C50H64N6O13/c1-49(2,3)36-29-35(31-43(46(36)60)56-53-40-12-8-9-13-41(40)54-56)32-44(58)48(62)69-27-25-67-23-21-65-19-17-63-16-18-64-20-22-66-24-26-68-45(59)15-14-34-28-37(50(4,5)33-57)47(61)42(30-34)55-51-38-10-6-7-11-39(38)52-55/h6-13,28-31,44,57-58,60-61H,14-27,32-33H2,1-5H3 |
| SMILES | CC(C)(C)C1=CC(CC(O)C(=O)OCCOCCOCCOCCOCCOCCOC(=O)CCC2=CC(N3N=C4C=CC=CC4=N3)=C(O)C(C(C)(C)CO)=C2)=CC(N2N=C3C=CC=CC3=N2)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C50H64N6O13/c1-49(2,3)36-29-35(31-43(46(36)60)56-53-40-12-8-9-13-41(40)54-56)32-44(58)48(62)69-27-25-67-23-21-65-19-17-63-16-18-64-20-22-66-24-26-68-45(59)15-14-34-28-37(50(4,5)33-57)47(61)42(30-34)55-51-38-10-6-7-11-39(38)52-55/h6-13,28-31,44,57-58,60-61H,14-27,32-33H2,1-5H3/t44? |
 |
| SMILES (mnx) | [CH3:1][C:49]([CH3:2])([CH3:3])[C:36]1=[C:46]([OH:60])[C:43]([N:56]2[N:53]=[C:40]3[CH:12]=[CH:8][CH:9]=[CH:13][C:41]3=[N:54]2)=[CH:31][C:35]([CH2:32][CH:44]([C:48](=[O:62])[O:69][CH2:27][CH2:25][O:67][CH2:23][CH2:21][O:65][CH2:19][CH2:17][O:63][CH2:16][CH2:18][O:64][CH2:20][CH2:22][O:66][CH2:24][CH2:26][O:68][C:45]([CH2:15][CH2:14][C:34]2=[CH:28][C:37]([C:50]([CH3:4])([CH3:5])[CH2:33][OH:57])=[C:47]([OH:61])[C:42]([N:55]3[N:51]=[C:38]4[CH:10]=[CH:6][CH:7]=[CH:11][C:39]4=[N:52]3)=[CH:30]2)=[O:59])[OH:58])=[CH:29]1 |
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