| Properties | Image |
|---|
| MNX_ID | MNXM1065389 |
 |
| reference | slm:000758053 |
| formula | C62H111NO22 |
| global charge | 0 |
| mol weight | 1222.555 |
| InChIKey | VHKRRPFVOMWNIJ-RIKBMPSPSA-N |
| InChI | InChI=1S/C62H111NO22/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-46(68)63-41(42(67)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)39-78-59-55(77)52(74)56(45(38-66)82-59)83-62-58(85-60-53(75)50(72)47(69)40(3)79-60)57(49(71)44(37-65)81-62)84-61-54(76)51(73)48(70)43(36-64)80-61/h12,14,18-19,32,34,40-45,47-62,64-67,69-77H,4-11,13,15-17,20-31,33,35-39H2,1-3H3,(H,63,68)/b14-12-,19-18-,34-32+/t40-,41-,42+,43+,44+,45+,47+,48-,49-,50+,51-,52+,53-,54+,55+,56+,57-,58+,59+,60-,61+,62-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCC(=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@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C62H111NO22/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-46(68)63-41(42(67)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)39-78-59-55(77)52(74)56(45(38-66)82-59)83-62-58(85-60-53(75)50(72)47(69)40(3)79-60)57(49(71)44(37-65)81-62)84-61-54(76)51(73)48(70)43(36-64)80-61/h12,14,18-19,32,34,40-45,47-62,64-67,69-77H,4-11,13,15-17,20-31,33,35-39H2,1-3H3,(H,63,68)/b14-12-,19-18-,34-32+/t40-,41-,42+,43+,44+,45+,47+,48-,49-,50+,51-,52+,53-,54+,55+,56+,57-,58+,59+,60-,61+,62-/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][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:46](=[N:63][C@@H:41]([CH2:39][O:78][C@H:59]1[C@H:55]([OH:77])[C@@H:52]([OH:74])[C@H:56]([O:83][C@H:62]2[C@H:58]([O:85][C@H:60]3[C@@H:53]([OH:75])[C@H:50]([OH:72])[C@H:47]([OH:69])[C@H:40]([CH3:3])[O:79]3)[C@@H:57]([O:84][C@@H:61]3[C@H:54]([OH:76])[C@@H:51]([OH:73])[C@@H:48]([OH:70])[C@@H:43]([CH2:36][OH:64])[O:80]3)[C@@H:49]([OH:71])[C@@H:44]([CH2:37][OH:65])[O:81]2)[C@@H:45]([CH2:38][OH:66])[O:82]1)[C@@H:42](/[CH:34]=[CH:32]/[CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:67])[OH:68] |
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