| Properties | Image |
|---|
| MNX_ID | MNXM523632 |
 |
| reference | slm:000487619 |
| formula | C67H116N3O26 |
| global charge | -1 |
| mol weight | 1379.66 |
| InChIKey | GPXKDDRHZGTCAR-VXAONVRCSA-M |
| InChI | InChI=1S/C67H117N3O26/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-50(80)70-43(44(77)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)40-89-64-57(85)56(84)59(48(38-73)91-64)93-65-58(86)62(60(49(39-74)92-65)94-63-52(69-42(4)76)55(83)54(82)47(37-72)90-63)96-67(66(87)88)35-45(78)51(68-41(3)75)61(95-67)53(81)46(79)36-71/h15,17,19-20,31,33,43-49,51-65,71-74,77-79,81-86H,5-14,16,18,21-30,32,34-40H2,1-4H3,(H,68,75)(H,69,76)(H,70,80)(H,87,88)/p-1/b17-15+,20-19-,33-31+/t43-,44+,45-,46+,47+,48+,49+,51+,52+,53+,54-,55+,56+,57+,58+,59+,60-,61+,62+,63-,64+,65-,67-/m0/s1 |
| SMILES | CCCCCC/C=C/C=C\CCCCCCCC(=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/C67H117N3O26/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-50(80)70-43(44(77)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)40-89-64-57(85)56(84)59(48(38-73)91-64)93-65-58(86)62(60(49(39-74)92-65)94-63-52(69-42(4)76)55(83)54(82)47(37-72)90-63)96-67(66(87)88)35-45(78)51(68-41(3)75)61(95-67)53(81)46(79)36-71/h15,17,19-20,31,33,43-49,51-65,71-74,77-79,81-86H,5-14,16,18,21-30,32,34-40H2,1-4H3,(H,68,75)(H,69,76)(H,70,80)(H,87,88)/b17-15+,20-19-,33-31+/t43-,44+,45-,46+,47+,48+,49+,51+,52+,53+,54-,55+,56+,57+,58+,59+,60-,61+,62+,63-,64+,65-,67-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13]/[CH:15]=[CH:17]/[CH:19]=[CH:20]\[CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:50](=[N:70][C@@H:43]([CH2:40][O:89][C@H:64]1[C@H:57]([OH:85])[C@@H:56]([OH:84])[C@H:59]([O:93][C@H:65]2[C@H:58]([OH:86])[C@@H:62]([O:96][C@:67]3([C:66](=[O:87])[OH:88])[CH2:35][C@H:45]([OH:78])[C@@H:51]([N:68]=[C:41]([CH3:3])[OH:75])[C@H:61]([C@@H:53]([C@@H:46]([CH2:36][OH:71])[OH:79])[OH:81])[O:95]3)[C@@H:60]([O:94][C@H:63]3[C@H:52]([N:69]=[C:42]([CH3:4])[OH:76])[C@@H:55]([OH:83])[C@@H:54]([OH:82])[C@@H:47]([CH2:37][OH:72])[O:90]3)[C@@H:49]([CH2:39][OH:74])[O:92]2)[C@@H:48]([CH2:38][OH:73])[O:91]1)[C@@H:44](/[CH:33]=[CH:31]/[CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:77])[OH:80] |
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