| Properties | Image |
|---|
| MNX_ID | MNXM523611 |
 |
| reference | slm:000486565 |
| formula | C61H106N3O31 |
| global charge | -1 |
| mol weight | 1377.509 |
| InChIKey | HKXATLZXSVRWBG-QLVBWXQJSA-M |
| InChI | InChI=1S/C61H107N3O31/c1-5-7-9-10-11-12-13-14-15-16-17-18-20-21-33(72)32(64-40(75)22-19-8-6-2)29-86-57-48(81)46(79)52(38(27-68)89-57)92-58-49(82)47(80)51(39(28-69)90-58)91-56-42(63-31(4)71)53(44(77)36(25-66)87-56)93-59-50(83)55(45(78)37(26-67)88-59)95-61(60(84)85)23-34(73)41(62-30(3)70)54(94-61)43(76)35(74)24-65/h20-21,32-39,41-59,65-69,72-74,76-83H,5-19,22-29H2,1-4H3,(H,62,70)(H,63,71)(H,64,75)(H,84,85)/p-1/b21-20+/t32-,33+,34-,35+,36+,37+,38+,39+,41+,42+,43+,44-,45-,46+,47+,48+,49+,50+,51-,52+,53+,54+,55-,56-,57+,58-,59-,61-/m0/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[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]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C61H107N3O31/c1-5-7-9-10-11-12-13-14-15-16-17-18-20-21-33(72)32(64-40(75)22-19-8-6-2)29-86-57-48(81)46(79)52(38(27-68)89-57)92-58-49(82)47(80)51(39(28-69)90-58)91-56-42(63-31(4)71)53(44(77)36(25-66)87-56)93-59-50(83)55(45(78)37(26-67)88-59)95-61(60(84)85)23-34(73)41(62-30(3)70)54(94-61)43(76)35(74)24-65/h20-21,32-39,41-59,65-69,72-74,76-83H,5-19,22-29H2,1-4H3,(H,62,70)(H,63,71)(H,64,75)(H,84,85)/b21-20+/t32-,33+,34-,35+,36+,37+,38+,39+,41+,42+,43+,44-,45-,46+,47+,48+,49+,50+,51-,52+,53+,54+,55-,56-,57+,58-,59-,61-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]/[CH:20]=[CH:21]/[C@H:33]([C@H:32]([CH2:29][O:86][C@H:57]1[C@H:48]([OH:81])[C@@H:46]([OH:79])[C@H:52]([O:92][C@H:58]2[C@H:49]([OH:82])[C@@H:47]([OH:80])[C@@H:51]([O:91][C@H:56]3[C@H:42]([N:63]=[C:31]([CH3:4])[OH:71])[C@@H:53]([O:93][C@H:59]4[C@H:50]([OH:83])[C@@H:55]([O:95][C@:61]5([C:60](=[O:84])[OH:85])[CH2:23][C@H:34]([OH:73])[C@@H:41]([N:62]=[C:30]([CH3:3])[OH:70])[C@H:54]([C@@H:43]([C@@H:35]([CH2:24][OH:65])[OH:74])[OH:76])[O:94]5)[C@@H:45]([OH:78])[C@@H:37]([CH2:26][OH:67])[O:88]4)[C@@H:44]([OH:77])[C@@H:36]([CH2:25][OH:66])[O:87]3)[C@@H:39]([CH2:28][OH:69])[O:90]2)[C@@H:38]([CH2:27][OH:68])[O:89]1)[N:64]=[C:40]([CH2:22][CH2:19][CH2:8][CH2:6][CH3:2])[OH:75])[OH:72] |
|