| Properties | Image |
|---|
| MNX_ID | MNXM1061633 |
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| reference | slm:000754245 |
| formula | C70H119N2O26S |
| global charge | -1 |
| mol weight | 1436.777 |
| InChIKey | XIBLMIBBPGNPKG-OYWUIUKNSA-M |
| InChI | InChI=1S/C70H120N2O26S/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-54(79)72-48(49(78)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)46-90-68-60(84)58(82)63(52(44-75)93-68)95-69-61(85)59(83)64(53(45-76)94-69)96-70-62(86)66(57(81)51(43-74)92-70)97-67-55(71-47(3)77)65(98-99(87,88)89)56(80)50(42-73)91-67/h12,14,18-19,21-22,24-25,27,29,38,40,48-53,55-70,73-76,78,80-86H,4-11,13,15-17,20,23,26,28,30-37,39,41-46H2,1-3H3,(H,71,77)(H,72,79)(H,87,88,89)/p-1/b14-12-,19-18-,22-21-,25-24-,29-27-,40-38+/t48-,49+,50+,51+,52+,53+,55+,56-,57-,58+,59+,60+,61+,62+,63+,64-,65+,66-,67-,68+,69-,70+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)N[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]4O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)[O-])[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C70H120N2O26S/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-54(79)72-48(49(78)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)46-90-68-60(84)58(82)63(52(44-75)93-68)95-69-61(85)59(83)64(53(45-76)94-69)96-70-62(86)66(57(81)51(43-74)92-70)97-67-55(71-47(3)77)65(98-99(87,88)89)56(80)50(42-73)91-67/h12,14,18-19,21-22,24-25,27,29,38,40,48-53,55-70,73-76,78,80-86H,4-11,13,15-17,20,23,26,28,30-37,39,41-46H2,1-3H3,(H,71,77)(H,72,79)(H,87,88,89)/b14-12-,19-18-,22-21-,25-24-,29-27-,40-38+/t48-,49+,50+,51+,52+,53+,55+,56-,57-,58+,59+,60+,61+,62+,63+,64-,65+,66-,67-,68+,69-,70+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10]/[CH:12]=[CH:14]\[CH2:16]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:29]\[CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:54](=[N:72][C@@H:48]([CH2:46][O:90][C@H:68]1[C@H:60]([OH:84])[C@@H:58]([OH:82])[C@H:63]([O:95][C@H:69]2[C@H:61]([OH:85])[C@@H:59]([OH:83])[C@@H:64]([O:96][C@@H:70]3[C@H:62]([OH:86])[C@@H:66]([O:97][C@H:67]4[C@H:55]([N:71]=[C:47]([CH3:3])[OH:77])[C@@H:65]([O:98][S:99]([OH:87])(=[O:88])=[O:89])[C@@H:56]([OH:80])[C@@H:50]([CH2:42][OH:73])[O:91]4)[C@@H:57]([OH:81])[C@@H:51]([CH2:43][OH:74])[O:92]3)[C@@H:53]([CH2:45][OH:76])[O:94]2)[C@@H:52]([CH2:44][OH:75])[O:93]1)[C@@H:49](/[CH:40]=[CH:38]/[CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:78])[OH:79] |
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