| Properties | Image |
|---|
| MNX_ID | MNXM1103698 |
 |
| reference | biggM:CE2838 |
| formula | C54H92O46 |
| global charge | 0 |
| mol weight | 1477.284 |
| InChIKey | KEFAHNNQIPSIMC-WMKZAYDFSA-N |
| InChI | InChI=1S/C54H92O46/c55-1-10-19(64)20(65)30(75)47(85-10)94-39-12(3-57)87-49(32(77)22(39)67)96-41-14(5-59)89-51(34(79)24(41)69)98-43-16(7-61)91-53(36(81)26(43)71)100-45-18(9-63)92-54(37(82)28(45)73)99-44-17(8-62)90-52(35(80)27(44)72)97-42-15(6-60)88-50(33(78)25(42)70)95-40-13(4-58)86-48(31(76)23(40)68)93-38-11(2-56)84-46(83)29(74)21(38)66/h10-83H,1-9H2/t10-,11+,12-,13+,14-,15+,16-,17+,18-,19-,20+,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+,49-,50+,51-,52+,53-,54-/m0/s1 |
| SMILES | OC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@@H]4[C@@H](O)[C@H](O)[C@H](O[C@@H]5[C@@H](O)[C@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)C(O)O[C@@H]9CO)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@H]5CO)O[C@H]4CO)O[C@H]3CO)O[C@H]2CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C54H92O46/c55-1-10-19(64)20(65)30(75)47(85-10)94-39-12(3-57)87-49(32(77)22(39)67)96-41-14(5-59)89-51(34(79)24(41)69)98-43-16(7-61)91-53(36(81)26(43)71)100-45-18(9-63)92-54(37(82)28(45)73)99-44-17(8-62)90-52(35(80)27(44)72)97-42-15(6-60)88-50(33(78)25(42)70)95-40-13(4-58)86-48(31(76)23(40)68)93-38-11(2-56)84-46(83)29(74)21(38)66/h10-83H,1-9H2/t10-,11+,12-,13+,14-,15+,16-,17+,18-,19-,20+,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+,49-,50+,51-,52+,53-,54-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([C@H:10]1[C@H:19]([OH:64])[C@@H:20]([OH:65])[C@H:30]([OH:75])[C@H:47]([O:94][C@H:39]2[C@H:12]([CH2:3][OH:57])[O:87][C@@H:49]([O:96][C@H:41]3[C@H:14]([CH2:5][OH:59])[O:89][C@@H:51]([O:98][C@H:43]4[C@H:16]([CH2:7][OH:61])[O:91][C@@H:53]([O:100][C@H:45]5[C@H:18]([CH2:9][OH:63])[O:92][C@@H:54]([O:99][C@@H:44]6[C@@H:17]([CH2:8][OH:62])[O:90][C@H:52]([O:97][C@@H:42]7[C@@H:15]([CH2:6][OH:60])[O:88][C@H:50]([O:95][C@@H:40]8[C@@H:13]([CH2:4][OH:58])[O:86][C@H:48]([O:93][C@@H:38]9[C@@H:11]([CH2:2][OH:56])[O:84][CH:46]([OH:83])[C@H:29]([OH:74])[C@H:21]9[OH:66])[C@H:31]([OH:76])[C@H:23]8[OH:68])[C@H:33]([OH:78])[C@H:25]7[OH:70])[C@H:35]([OH:80])[C@H:27]6[OH:72])[C@@H:37]([OH:82])[C@@H:28]5[OH:73])[C@@H:36]([OH:81])[C@@H:26]4[OH:71])[C@@H:34]([OH:79])[C@@H:24]3[OH:69])[C@@H:32]([OH:77])[C@@H:22]2[OH:67])[O:85]1)[OH:55] |
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