| Properties | Image |
|---|
| MNX_ID | MNXM523873 |
 |
| reference | slm:000486627 |
| formula | C67H111N2O21 |
| global charge | -1 |
| mol weight | 1280.618 |
| InChIKey | RFQJJWDIWOHLDX-KHJQJFMOSA-M |
| InChI | InChI=1S/C67H112N2O21/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(77)69-48(49(74)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)46-85-64-59(81)58(80)61(53(45-72)87-64)88-65-60(82)63(57(79)52(44-71)86-65)90-67(66(83)84)42-50(75)55(68-47(3)73)62(89-67)56(78)51(76)43-70/h6,8,12,14,18-19,21-22,24-25,27,29,38,40,48-53,55-65,70-72,74-76,78-82H,4-5,7,9-11,13,15-17,20,23,26,28,30-37,39,41-46H2,1-3H3,(H,68,73)(H,69,77)(H,83,84)/p-1/b8-6-,14-12-,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-,67-/m0/s1 |
| SMILES | CC/C=C\C/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](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/C67H112N2O21/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(77)69-48(49(74)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)46-85-64-59(81)58(80)61(53(45-72)87-64)88-65-60(82)63(57(79)52(44-71)86-65)90-67(66(83)84)42-50(75)55(68-47(3)73)62(89-67)56(78)51(76)43-70/h6,8,12,14,18-19,21-22,24-25,27,29,38,40,48-53,55-65,70-72,74-76,78-82H,4-5,7,9-11,13,15-17,20,23,26,28,30-37,39,41-46H2,1-3H3,(H,68,73)(H,69,77)(H,83,84)/b8-6-,14-12-,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-,67-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:6]=[CH: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:69][C@@H:48]([CH2:46][O:85][C@H:64]1[C@H:59]([OH:81])[C@@H:58]([OH:80])[C@H:61]([O:88][C@H:65]2[C@H:60]([OH:82])[C@@H:63]([O:90][C@:67]3([C:66](=[O:83])[OH:84])[CH2:42][C@H:50]([OH:75])[C@@H:55]([N:68]=[C:47]([CH3:3])[OH:73])[C@H:62]([C@@H:56]([C@@H:51]([CH2:43][OH:70])[OH:76])[OH:78])[O:89]3)[C@@H:57]([OH:79])[C@@H:52]([CH2:44][OH:71])[O:86]2)[C@@H:53]([CH2:45][OH:72])[O:87]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:74])[OH:77] |
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