| Properties | Image |
|---|
| MNX_ID | MNXM524097 |
 |
| reference | slm:000485847 |
| formula | C71H125N2O16 |
| global charge | -1 |
| mol weight | 1262.779 |
| InChIKey | CDDTVFMWOKICNQ-SROZVLPOSA-M |
| InChI | InChI=1S/C71H126N2O16/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-62(80)73-57(58(77)50-48-46-44-42-40-38-17-15-13-11-9-7-5-2)55-86-69-66(83)68(65(82)61(54-75)87-69)89-71(70(84)85)52-59(78)63(72-56(3)76)67(88-71)64(81)60(79)53-74/h12,14,18-19,21-22,24-25,48,50,57-61,63-69,74-75,77-79,81-83H,4-11,13,15-17,20,23,26-47,49,51-55H2,1-3H3,(H,72,76)(H,73,80)(H,84,85)/p-1/b14-12-,19-18-,22-21-,25-24-,50-48+/t57-,58+,59-,60+,61+,63+,64+,65-,66+,67+,68-,69+,71-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@]2(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C71H126N2O16/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-62(80)73-57(58(77)50-48-46-44-42-40-38-17-15-13-11-9-7-5-2)55-86-69-66(83)68(65(82)61(54-75)87-69)89-71(70(84)85)52-59(78)63(72-56(3)76)67(88-71)64(81)60(79)53-74/h12,14,18-19,21-22,24-25,48,50,57-61,63-69,74-75,77-79,81-83H,4-11,13,15-17,20,23,26-47,49,51-55H2,1-3H3,(H,72,76)(H,73,80)(H,84,85)/b14-12-,19-18-,22-21-,25-24-,50-48+/t57-,58+,59-,60+,61+,63+,64+,65-,66+,67+,68-,69+,71-/m0/s1 |
 |
| 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][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][C:62](=[N:73][C@@H:57]([CH2:55][O:86][C@H:69]1[C@H:66]([OH:83])[C@@H:68]([O:89][C@:71]2([C:70](=[O:84])[OH:85])[CH2:52][C@H:59]([OH:78])[C@@H:63]([N:72]=[C:56]([CH3:3])[OH:76])[C@H:67]([C@@H:64]([C@@H:60]([CH2:53][OH:74])[OH:79])[OH:81])[O:88]2)[C@@H:65]([OH:82])[C@@H:61]([CH2:54][OH:75])[O:87]1)[C@@H:58](/[CH:50]=[CH:48]/[CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:77])[OH:80] |
|