| Properties | Image |
|---|
| MNX_ID | MNXM523650 |
 |
| reference | slm:000487567 |
| formula | C71H122N3O26 |
| global charge | -1 |
| mol weight | 1433.752 |
| InChIKey | ZJLNGCXMUVRVLM-FXJKEUMBSA-M |
| InChI | InChI=1S/C71H123N3O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-54(84)74-47(48(81)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)44-93-68-61(89)60(88)63(52(42-77)95-68)97-69-62(90)66(64(53(43-78)96-69)98-67-56(73-46(4)80)59(87)58(86)51(41-76)94-67)100-71(70(91)92)39-49(82)55(72-45(3)79)65(99-71)57(85)50(83)40-75/h13,15,19-20,22-23,35,37,47-53,55-69,75-78,81-83,85-90H,5-12,14,16-18,21,24-34,36,38-44H2,1-4H3,(H,72,79)(H,73,80)(H,74,84)(H,91,92)/p-1/b15-13-,20-19-,23-22-,37-35+/t47-,48+,49-,50+,51+,52+,53+,55+,56+,57+,58-,59+,60+,61+,62+,63+,64-,65+,66+,67-,68+,69-,71-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=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](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C71H123N3O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-54(84)74-47(48(81)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)44-93-68-61(89)60(88)63(52(42-77)95-68)97-69-62(90)66(64(53(43-78)96-69)98-67-56(73-46(4)80)59(87)58(86)51(41-76)94-67)100-71(70(91)92)39-49(82)55(72-45(3)79)65(99-71)57(85)50(83)40-75/h13,15,19-20,22-23,35,37,47-53,55-69,75-78,81-83,85-90H,5-12,14,16-18,21,24-34,36,38-44H2,1-4H3,(H,72,79)(H,73,80)(H,74,84)(H,91,92)/b15-13-,20-19-,23-22-,37-35+/t47-,48+,49-,50+,51+,52+,53+,55+,56+,57+,58-,59+,60+,61+,62+,63+,64-,65+,66+,67-,68+,69-,71-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:54](=[N:74][C@@H:47]([CH2:44][O:93][C@H:68]1[C@H:61]([OH:89])[C@@H:60]([OH:88])[C@H:63]([O:97][C@H:69]2[C@H:62]([OH:90])[C@@H:66]([O:100][C@:71]3([C:70](=[O:91])[OH:92])[CH2:39][C@H:49]([OH:82])[C@@H:55]([N:72]=[C:45]([CH3:3])[OH:79])[C@H:65]([C@@H:57]([C@@H:50]([CH2:40][OH:75])[OH:83])[OH:85])[O:99]3)[C@@H:64]([O:98][C@H:67]3[C@H:56]([N:73]=[C:46]([CH3:4])[OH:80])[C@@H:59]([OH:87])[C@@H:58]([OH:86])[C@@H:51]([CH2:41][OH:76])[O:94]3)[C@@H:53]([CH2:43][OH:78])[O:96]2)[C@@H:52]([CH2:42][OH:77])[O:95]1)[C@@H:48](/[CH:37]=[CH:35]/[CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:81])[OH:84] |
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