| Properties | Image |
|---|
| MNX_ID | MNXM168499 |
 |
| reference | sabiorkM:29404 |
| formula | C48H80N6O31 |
| global charge | 0 |
| mol weight | 1237.179 |
| InChIKey | FUHDMRPNDKDRFE-LPUYKFNUSA-N |
| InChI | InChI=1S/C48H80N6O31/c1-14(62)49-20(7-55)32(69)39(21(68)8-56)81-45-28(51-16(3)64)35(72)41(23(10-58)77-45)83-47-30(53-18(5)66)37(74)43(25(12-60)79-47)85-48-31(54-19(6)67)38(75)42(26(13-61)80-48)84-46-29(52-17(4)65)36(73)40(24(11-59)78-46)82-44-27(50-15(2)63)34(71)33(70)22(9-57)76-44/h7,20-48,56-61,68-75H,8-13H2,1-6H3,(H,49,62)(H,50,63)(H,51,64)(H,52,65)(H,53,66)(H,54,67)/t20-,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,47-,48-/m0/s1 |
| SMILES | CC(O)=N[C@H]1[C@H](O[C@@H]([C@H](O)[C@H](C=O)N=C(C)O)[C@H](O)CO)O[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]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5N=C(C)O)[C@H](O)[C@H]4N=C(C)O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C48H80N6O31/c1-14(62)49-20(7-55)32(69)39(21(68)8-56)81-45-28(51-16(3)64)35(72)41(23(10-58)77-45)83-47-30(53-18(5)66)37(74)43(25(12-60)79-47)85-48-31(54-19(6)67)38(75)42(26(13-61)80-48)84-46-29(52-17(4)65)36(73)40(24(11-59)78-46)82-44-27(50-15(2)63)34(71)33(70)22(9-57)76-44/h7,20-48,56-61,68-75H,8-13H2,1-6H3,(H,49,62)(H,50,63)(H,51,64)(H,52,65)(H,53,66)(H,54,67)/t20-,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,47-,48-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:14](=[N:49][C@@H:20]([CH:7]=[O:55])[C@H:32]([C@@H:39]([C@@H:21]([CH2:8][OH:56])[OH:68])[O:81][C@H:45]1[C@H:28]([N:51]=[C:16]([CH3:3])[OH:64])[C@@H:35]([OH:72])[C@H:41]([O:83][C@H:47]2[C@H:30]([N:53]=[C:18]([CH3:5])[OH:66])[C@@H:37]([OH:74])[C@H:43]([O:85][C@H:48]3[C@H:31]([N:54]=[C:19]([CH3:6])[OH:67])[C@@H:38]([OH:75])[C@H:42]([O:84][C@H:46]4[C@H:29]([N:52]=[C:17]([CH3:4])[OH:65])[C@@H:36]([OH:73])[C@H:40]([O:82][C@H:44]5[C@H:27]([N:50]=[C:15]([CH3:2])[OH:63])[C@@H:34]([OH:71])[C@H:33]([OH:70])[C@@H:22]([CH2:9][OH:57])[O:76]5)[C@@H:24]([CH2:11][OH:59])[O:78]4)[C@@H:26]([CH2:13][OH:61])[O:80]3)[C@@H:25]([CH2:12][OH:60])[O:79]2)[C@@H:23]([CH2:10][OH:58])[O:77]1)[OH:69])[OH:62] |
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