| Properties | Image |
|---|
| MNX_ID | MNXM1400736 |
 |
| reference | chebi:219115 |
| formula | C76H128O18 |
| global charge | 0 |
| mol weight | 1329.842 |
| InChIKey | YBQSARBLARAWIZ-DPTFOECZSA-N |
| InChI | InChI=1S/C76H128O18/c1-47-21-15-17-23-59-25-19-27-61(91-59)45-69(87-13)54(8)68(80)40-58(78)42-72(56(10)76(84)50(4)32-34-64-44-66(86-12)38-52(6)90-64)94-74(82)36-30-48(2)22-16-18-24-60-26-20-28-62(92-60)46-70(88-14)53(7)67(79)39-57(77)41-71(93-73(81)35-29-47)55(9)75(83)49(3)31-33-63-43-65(85-11)37-51(5)89-63/h19-22,25-26,29-30,35-36,49-72,75-80,83-84H,15-18,23-24,27-28,31-34,37-46H2,1-14H3/b35-29-,36-30-,47-21-,48-22-/t49-,50-,51-,52-,53-,54-,55+,56+,57+,58+,59+,60+,61-,62-,63-,64-,65+,66+,67-,68-,69-,70-,71-,72-,75-,76-/m0/s1 |
| SMILES | CO[C@H]1C[C@H](CC[C@H](C)[C@H](O)[C@H](C)[C@@H]2C[C@H](O)C[C@H](O)[C@H](C)[C@@H](OC)C[C@@H]3CC=C[C@@H](CCC/C=C(C)\C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@H]4C[C@H](OC)C[C@H](C)O4)C[C@H](O)C[C@H](O)[C@H](C)[C@@H](OC)C[C@@H]4CC=C[C@@H](CCC/C=C(C)\C=C/C(=O)O2)O4)O3)O[C@@H](C)C1 |
MNX internals
| InChI (mnx) | InChI=1/C76H128O18/c1-47-21-15-17-23-59-25-19-27-61(91-59)45-69(87-13)54(8)68(80)40-58(78)42-72(56(10)76(84)50(4)32-34-64-44-66(86-12)38-52(6)90-64)94-74(82)36-30-48(2)22-16-18-24-60-26-20-28-62(92-60)46-70(88-14)53(7)67(79)39-57(77)41-71(93-73(81)35-29-47)55(9)75(83)49(3)31-33-63-43-65(85-11)37-51(5)89-63/h19-22,25-26,29-30,35-36,49-72,75-80,83-84H,15-18,23-24,27-28,31-34,37-46H2,1-14H3/b35-29-,36-30-,47-21-,48-22-/t49-,50-,51-,52-,53-,54-,55+,56+,57+,58+,59+,60+,61-,62-,63-,64-,65+,66+,67-,68-,69-,70-,71-,72-,75-,76-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:47]1=[CH:21]/[CH2:15][CH2:17][CH2:23][C@@H:59]2[CH:25]=[CH:19][CH2:27][C@@H:61]([CH2:45][C@H:69]([O:87][CH3:13])[C@@H:54]([CH3:8])[C@@H:68]([OH:80])[CH2:40][C@@H:58]([OH:78])[CH2:42][C@@H:72]([C@@H:56]([CH3:10])[C@H:76]([C@@H:50]([CH3:4])[CH2:32][CH2:34][C@H:64]3[CH2:44][C@H:66]([O:86][CH3:12])[CH2:38][C@H:52]([CH3:6])[O:90]3)[OH:84])[O:94][C:74](=[O:82])/[CH:36]=[CH:30]\[C:48]([CH3:2])=[CH:22]/[CH2:16][CH2:18][CH2:24][C@@H:60]3[CH:26]=[CH:20][CH2:28][C@@H:62]([CH2:46][C@H:70]([O:88][CH3:14])[C@@H:53]([CH3:7])[C@@H:67]([OH:79])[CH2:39][C@@H:57]([OH:77])[CH2:41][C@@H:71]([C@@H:55]([CH3:9])[C@H:75]([C@@H:49]([CH3:3])[CH2:31][CH2:33][C@H:63]4[CH2:43][C@H:65]([O:85][CH3:11])[CH2:37][C@H:51]([CH3:5])[O:89]4)[OH:83])[O:93][C:73](=[O:81])\[CH:35]=[CH:29]/1)[O:92]3)[O:91]2 |
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