| Properties | Image |
|---|
| MNX_ID | MNXM744615 |
 |
| reference | chebi:140171 |
| formula | C61H109N11O12 |
| global charge | 0 |
| mol weight | 1188.608 |
| InChIKey | MIIRLHRXLLVIMF-WKHWYDSQSA-N |
| InChI | InChI=1S/C61H109N11O12/c1-24-26-27-39(15)51(74)50-55(78)65-42(25-2)57(80)67(18)32-47(73)64-43(28-33(3)4)53(76)66-48(37(11)12)60(83)68(19)44(29-34(5)6)54(77)62-40(16)52(75)63-41(17)56(79)69(20)45(30-35(7)8)58(81)70(21)46(31-36(9)10)59(82)71(22)49(38(13)14)61(84)72(50)23/h24,26,33-46,48-51,74H,25,27-32H2,1-23H3,(H,62,77)(H,63,75)(H,64,73)(H,65,78)(H,66,76)/b26-24+/t39-,40+,41-,42+,43+,44+,45+,46+,48+,49+,50+,51-/m1/s1 |
| SMILES | C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C |
MNX internals
| InChI (mnx) | InChI=1/C61H109N11O12/c1-24-26-27-39(15)51(74)50-55(78)65-42(25-2)57(80)67(18)32-47(73)64-43(28-33(3)4)53(76)66-48(37(11)12)60(83)68(19)44(29-34(5)6)54(77)62-40(16)52(75)63-41(17)56(79)69(20)45(30-35(7)8)58(81)70(21)46(31-36(9)10)59(82)71(22)49(38(13)14)61(84)72(50)23/h24,26,33-46,48-51,74H,25,27-32H2,1-23H3,(H,62,77)(H,63,75)(H,64,73)(H,65,78)(H,66,76)/b26-24+/t39-,40+,41-,42+,43+,44+,45+,46+,48+,49+,50+,51-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:24]=[CH:26]/[CH2:27][C@@H:39]([CH3:15])[C@H:51]([C@H:50]1[C:55]([OH:78])=[N:65][C@@H:42]([CH2:25][CH3:2])[C:57](=[O:80])[N:67]([CH3:18])[CH2:32][C:47]([OH:73])=[N:64][C@@H:43]([CH2:28][CH:33]([CH3:3])[CH3:4])[C:53]([OH:76])=[N:66][C@@H:48]([CH:37]([CH3:11])[CH3:12])[C:60](=[O:83])[N:68]([CH3:19])[C@@H:44]([CH2:29][CH:34]([CH3:5])[CH3:6])[C:54]([OH:77])=[N:62][C@@H:40]([CH3:16])[C:52]([OH:75])=[N:63][C@H:41]([CH3:17])[C:56](=[O:79])[N:69]([CH3:20])[C@@H:45]([CH2:30][CH:35]([CH3:7])[CH3:8])[C:58](=[O:81])[N:70]([CH3:21])[C@@H:46]([CH2:31][CH:36]([CH3:9])[CH3:10])[C:59](=[O:82])[N:71]([CH3:22])[C@@H:49]([CH:38]([CH3:13])[CH3:14])[C:61](=[O:84])[N:72]1[CH3:23])[OH:74] |
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