| Properties | Image |
|---|
| MNX_ID | MNXM522991 |
 |
| reference | slm:000487722 |
| formula | C66H112N4O34 |
| global charge | -2 |
| mol weight | 1505.616 |
| InChIKey | RWVLGTJRMLXBJV-ZHYOZHPOSA-L |
| InChI | InChI=1S/C66H114N4O34/c1-6-8-10-11-12-13-14-15-16-17-18-19-21-22-36(79)35(70-44(83)23-20-9-7-2)31-95-61-53(89)52(88)55(42(29-74)97-61)99-62-54(90)59(56(43(30-75)98-62)100-60-47(69-34(5)78)51(87)49(85)40(27-72)96-60)104-66(64(93)94)25-38(81)46(68-33(4)77)58(103-66)50(86)41(28-73)101-65(63(91)92)24-37(80)45(67-32(3)76)57(102-65)48(84)39(82)26-71/h21-22,35-43,45-62,71-75,79-82,84-90H,6-20,23-31H2,1-5H3,(H,67,76)(H,68,77)(H,69,78)(H,70,83)(H,91,92)(H,93,94)/p-2/b22-21+/t35-,36+,37-,38-,39+,40+,41+,42+,43+,45+,46+,47+,48+,49-,50+,51+,52+,53+,54+,55+,56-,57+,58+,59+,60-,61+,62-,65+,66-/m0/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C66H114N4O34/c1-6-8-10-11-12-13-14-15-16-17-18-19-21-22-36(79)35(70-44(83)23-20-9-7-2)31-95-61-53(89)52(88)55(42(29-74)97-61)99-62-54(90)59(56(43(30-75)98-62)100-60-47(69-34(5)78)51(87)49(85)40(27-72)96-60)104-66(64(93)94)25-38(81)46(68-33(4)77)58(103-66)50(86)41(28-73)101-65(63(91)92)24-37(80)45(67-32(3)76)57(102-65)48(84)39(82)26-71/h21-22,35-43,45-62,71-75,79-82,84-90H,6-20,23-31H2,1-5H3,(H,67,76)(H,68,77)(H,69,78)(H,70,83)(H,91,92)(H,93,94)/b22-21+/t35-,36+,37-,38-,39+,40+,41+,42+,43+,45+,46+,47+,48+,49-,50+,51+,52+,53+,54+,55+,56-,57+,58+,59+,60-,61+,62-,65+,66-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]/[CH:21]=[CH:22]/[C@H:36]([C@H:35]([CH2:31][O:95][C@H:61]1[C@H:53]([OH:89])[C@@H:52]([OH:88])[C@H:55]([O:99][C@H:62]2[C@H:54]([OH:90])[C@@H:59]([O:104][C@:66]3([C:64](=[O:93])[OH:94])[CH2:25][C@H:38]([OH:81])[C@@H:46]([N:68]=[C:33]([CH3:4])[OH:77])[C@H:58]([C@@H:50]([C@@H:41]([CH2:28][OH:73])[O:101][C@:65]4([C:63](=[O:91])[OH:92])[CH2:24][C@H:37]([OH:80])[C@@H:45]([N:67]=[C:32]([CH3:3])[OH:76])[C@H:57]([C@@H:48]([C@@H:39]([CH2:26][OH:71])[OH:82])[OH:84])[O:102]4)[OH:86])[O:103]3)[C@@H:56]([O:100][C@H:60]3[C@H:47]([N:69]=[C:34]([CH3:5])[OH:78])[C@@H:51]([OH:87])[C@@H:49]([OH:85])[C@@H:40]([CH2:27][OH:72])[O:96]3)[C@@H:43]([CH2:30][OH:75])[O:98]2)[C@@H:42]([CH2:29][OH:74])[O:97]1)[N:70]=[C:44]([CH2:23][CH2:20][CH2:9][CH2:7][CH3:2])[OH:83])[OH:79] |
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