| Properties | Image |
|---|
| MNX_ID | MNXM103463 |
 |
| reference | chebi:68897 |
| formula | C66H110O30 |
| global charge | 0 |
| mol weight | 1383.576 |
| InChIKey | DFZYDYFJPRQWLY-KPYOPUIHSA-N |
| InChI | InChI=1S/C66H110O30/c1-12-16-22-25-38-26-23-20-18-17-19-21-24-27-42(70)89-54-47(75)44(72)39(28-67)86-63(54)82-30-41-51(91-59(79)32(6)14-3)53(92-60(80)33(7)15-4)49(77)62(88-41)94-52-45(73)40(29-68)87-66(95-55-46(74)43(71)36(10)83-64(55)85-38)57(52)96-65-56(93-61(81)34(8)35(9)69)48(76)50(37(11)84-65)90-58(78)31(5)13-2/h13,32-41,43-57,62-69,71-77H,12,14-30H2,1-11H3/b31-13+/t32-,33-,34-,35-,36+,37-,38-,39+,40+,41+,43+,44+,45+,46-,47-,48+,49+,50-,51+,52-,53+,54+,55+,56+,57+,62-,63+,64-,65-,66-/m0/s1 |
| SMILES | C/C=C(\C)C(=O)O[C@@H]1[C@@H](O)[C@@H](OC(=O)[C@@H](C)[C@H](C)O)[C@H](O[C@H]2[C@@H]3O[C@H]4[C@H](O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@H]5[C@H](OC[C@H]6O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O3)[C@H](O)[C@@H](OC(=O)[C@@H](C)CC)[C@@H]6OC(=O)[C@@H](C)CC)O[C@H](CO)[C@@H](O)[C@@H]5O)O[C@H](C)[C@@H](O)[C@@H]4O)O[C@H]1C |
MNX internals
| InChI (mnx) | InChI=1/C66H110O30/c1-12-16-22-25-38-26-23-20-18-17-19-21-24-27-42(70)89-54-47(75)44(72)39(28-67)86-63(54)82-30-41-51(91-59(79)32(6)14-3)53(92-60(80)33(7)15-4)49(77)62(88-41)94-52-45(73)40(29-68)87-66(95-55-46(74)43(71)36(10)83-64(55)85-38)57(52)96-65-56(93-61(81)34(8)35(9)69)48(76)50(37(11)84-65)90-58(78)31(5)13-2/h13,32-41,43-57,62-69,71-77H,12,14-30H2,1-11H3/b31-13+/t32-,33-,34-,35-,36+,37-,38-,39+,40+,41+,43+,44+,45+,46-,47-,48+,49+,50-,51+,52-,53+,54+,55+,56+,57+,62-,63+,64-,65-,66-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:12][CH2:16][CH2:22][CH2:25][C@H:38]1[CH2:26][CH2:23][CH2:20][CH2:18][CH2:17][CH2:19][CH2:21][CH2:24][CH2:27][C:42](=[O:70])[O:89][C@@H:54]2[C@@H:47]([OH:75])[C@H:44]([OH:72])[C@@H:39]([CH2:28][OH:67])[O:86][C@H:63]2[O:82][CH2:30][C@@H:41]2[C@@H:51]([O:91][C:59]([C@@H:32]([CH3:6])[CH2:14][CH3:3])=[O:79])[C@H:53]([O:92][C:60]([C@@H:33]([CH3:7])[CH2:15][CH3:4])=[O:80])[C@@H:49]([OH:77])[C@@H:62]([O:88]2)[O:94][C@H:52]2[C@H:45]([OH:73])[C@@H:40]([CH2:29][OH:68])[O:87][C@H:66]([C@@H:57]2[O:96][C@H:65]2[C@H:56]([O:93][C:61]([C@@H:34]([CH3:8])[C@H:35]([CH3:9])[OH:69])=[O:81])[C@H:48]([OH:76])[C@@H:50]([O:90][C:58](/[C:31]([CH3:5])=[CH:13]/[CH3:2])=[O:78])[C@H:37]([CH3:11])[O:84]2)[O:95][C@@H:55]2[C@@H:46]([OH:74])[C@H:43]([OH:71])[C@@H:36]([CH3:10])[O:83][C@H:64]2[O:85]1 |
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