| Properties | Image |
|---|
| MNX_ID | MNXM522939 |
 |
| reference | slm:000487701 |
| formula | C80H132N4O34 |
| global charge | -2 |
| mol weight | 1693.93 |
| InChIKey | WAEFWEOOBXLGBC-XGZUOZGPSA-L |
| InChI | InChI=1S/C80H134N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-58(97)84-49(50(93)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)45-109-75-67(103)66(102)69(56(43-88)111-75)113-76-68(104)73(70(57(44-89)112-76)114-74-61(83-48(5)92)65(101)63(99)54(41-86)110-74)118-80(78(107)108)39-52(95)60(82-47(4)91)72(117-80)64(100)55(42-87)115-79(77(105)106)38-51(94)59(81-46(3)90)71(116-79)62(98)53(96)40-85/h8,10,14,16,20-21,23,25,34,36,49-57,59-76,85-89,93-96,98-104H,6-7,9,11-13,15,17-19,22,24,26-33,35,37-45H2,1-5H3,(H,81,90)(H,82,91)(H,83,92)(H,84,97)(H,105,106)(H,107,108)/p-2/b10-8-,16-14-,21-20-,25-23-,36-34+/t49-,50+,51-,52-,53+,54+,55+,56+,57+,59+,60+,61+,62+,63-,64+,65+,66+,67+,68+,69+,70-,71+,72+,73+,74-,75+,76-,79+,80-/m0/s1 |
| SMILES | CC/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]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)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C80H134N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-58(97)84-49(50(93)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)45-109-75-67(103)66(102)69(56(43-88)111-75)113-76-68(104)73(70(57(44-89)112-76)114-74-61(83-48(5)92)65(101)63(99)54(41-86)110-74)118-80(78(107)108)39-52(95)60(82-47(4)91)72(117-80)64(100)55(42-87)115-79(77(105)106)38-51(94)59(81-46(3)90)71(116-79)62(98)53(96)40-85/h8,10,14,16,20-21,23,25,34,36,49-57,59-76,85-89,93-96,98-104H,6-7,9,11-13,15,17-19,22,24,26-33,35,37-45H2,1-5H3,(H,81,90)(H,82,91)(H,83,92)(H,84,97)(H,105,106)(H,107,108)/b10-8-,16-14-,21-20-,25-23-,36-34+/t49-,50+,51-,52-,53+,54+,55+,56+,57+,59+,60+,61+,62+,63-,64+,65+,66+,67+,68+,69+,70-,71+,72+,73+,74-,75+,76-,79+,80-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6]/[CH:8]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:25]\[CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:58](=[N:84][C@@H:49]([CH2:45][O:109][C@H:75]1[C@H:67]([OH:103])[C@@H:66]([OH:102])[C@H:69]([O:113][C@H:76]2[C@H:68]([OH:104])[C@@H:73]([O:118][C@:80]3([C:78](=[O:107])[OH:108])[CH2:39][C@H:52]([OH:95])[C@@H:60]([N:82]=[C:47]([CH3:4])[OH:91])[C@H:72]([C@@H:64]([C@@H:55]([CH2:42][OH:87])[O:115][C@:79]4([C:77](=[O:105])[OH:106])[CH2:38][C@H:51]([OH:94])[C@@H:59]([N:81]=[C:46]([CH3:3])[OH:90])[C@H:71]([C@@H:62]([C@@H:53]([CH2:40][OH:85])[OH:96])[OH:98])[O:116]4)[OH:100])[O:117]3)[C@@H:70]([O:114][C@H:74]3[C@H:61]([N:83]=[C:48]([CH3:5])[OH:92])[C@@H:65]([OH:101])[C@@H:63]([OH:99])[C@@H:54]([CH2:41][OH:86])[O:110]3)[C@@H:57]([CH2:44][OH:89])[O:112]2)[C@@H:56]([CH2:43][OH:88])[O:111]1)[C@@H:50](/[CH:36]=[CH:34]/[CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:93])[OH:97] |
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