| Properties | Image |
|---|
| MNX_ID | MNXM1400693 |
 |
| reference | chebi:219068 |
| formula | C96H160O34 |
| global charge | 0 |
| mol weight | 1858.302 |
| InChIKey | WLZDJBOPVJQGLD-ONKIUKLESA-N |
| InChI | InChI=1S/C96H160O34/c1-53-25-31-71(125-95-91(129-93(109)77(103)49-97)89(117-17)83(115-15)51-119-95)43-65-21-19-23-67(123-65)47-79(113-13)60(8)76(102)40-64(100)42-82(62(10)88(108)56(4)30-34-70-46-74(112-12)38-58(6)122-70)128-86(106)36-28-54(2)26-32-72(126-96-92(130-94(110)78(104)50-98)90(118-18)84(116-16)52-120-96)44-66-22-20-24-68(124-66)48-80(114-14)59(7)75(101)39-63(99)41-81(127-85(105)35-27-53)61(9)87(107)55(3)29-33-69-45-73(111-11)37-57(5)121-69/h19-22,25-28,35-36,55-84,87-92,95-104,107-108H,23-24,29-34,37-52H2,1-18H3/b35-27-,36-28-,53-25-,54-26-/t55-,56-,57-,58-,59-,60-,61+,62+,63+,64+,65-,66-,67-,68-,69-,70-,71-,72-,73+,74+,75-,76-,77+,78+,79-,80-,81-,82-,83-,84-,87-,88-,89+,90+,91-,92-,95+,96+/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](C[C@@H](O[C@H]4OC[C@H](OC)[C@@H](OC)[C@@H]4OC(=O)[C@H](O)CO)C/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](C[C@@H](O[C@H]5OC[C@H](OC)[C@@H](OC)[C@@H]5OC(=O)[C@H](O)CO)C/C=C(C)\C=C/C(=O)O2)O4)O3)O[C@@H](C)C1 |
MNX internals
| InChI (mnx) | InChI=1/C96H160O34/c1-53-25-31-71(125-95-91(129-93(109)77(103)49-97)89(117-17)83(115-15)51-119-95)43-65-21-19-23-67(123-65)47-79(113-13)60(8)76(102)40-64(100)42-82(62(10)88(108)56(4)30-34-70-46-74(112-12)38-58(6)122-70)128-86(106)36-28-54(2)26-32-72(126-96-92(130-94(110)78(104)50-98)90(118-18)84(116-16)52-120-96)44-66-22-20-24-68(124-66)48-80(114-14)59(7)75(101)39-63(99)41-81(127-85(105)35-27-53)61(9)87(107)55(3)29-33-69-45-73(111-11)37-57(5)121-69/h19-22,25-28,35-36,55-84,87-92,95-104,107-108H,23-24,29-34,37-52H2,1-18H3/b35-27-,36-28-,53-25-,54-26-/t55-,56-,57-,58-,59-,60-,61+,62+,63+,64+,65-,66-,67-,68-,69-,70-,71-,72-,73+,74+,75-,76-,77+,78+,79-,80-,81-,82-,83-,84-,87-,88-,89+,90+,91-,92-,95+,96+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:53]1=[CH:25]/[CH2:31][C@H:71]([O:125][C@@H:95]2[C@@H:91]([O:129][C:93]([C@@H:77]([CH2:49][OH:97])[OH:103])=[O:109])[C@H:89]([O:117][CH3:17])[C@@H:83]([O:115][CH3:15])[CH2:51][O:119]2)[CH2:43][C@@H:65]2[CH:21]=[CH:19][CH2:23][C@@H:67]([CH2:47][C@H:79]([O:113][CH3:13])[C@@H:60]([CH3:8])[C@@H:76]([OH:102])[CH2:40][C@@H:64]([OH:100])[CH2:42][C@@H:82]([C@@H:62]([CH3:10])[C@H:88]([C@@H:56]([CH3:4])[CH2:30][CH2:34][C@H:70]3[CH2:46][C@H:74]([O:112][CH3:12])[CH2:38][C@H:58]([CH3:6])[O:122]3)[OH:108])[O:128][C:86](=[O:106])/[CH:36]=[CH:28]\[C:54]([CH3:2])=[CH:26]/[CH2:32][C@H:72]([O:126][C@@H:96]3[C@@H:92]([O:130][C:94]([C@@H:78]([CH2:50][OH:98])[OH:104])=[O:110])[C@H:90]([O:118][CH3:18])[C@@H:84]([O:116][CH3:16])[CH2:52][O:120]3)[CH2:44][C@@H:66]3[CH:22]=[CH:20][CH2:24][C@@H:68]([CH2:48][C@H:80]([O:114][CH3:14])[C@@H:59]([CH3:7])[C@@H:75]([OH:101])[CH2:39][C@@H:63]([OH:99])[CH2:41][C@@H:81]([C@@H:61]([CH3:9])[C@H:87]([C@@H:55]([CH3:3])[CH2:29][CH2:33][C@H:69]4[CH2:45][C@H:73]([O:111][CH3:11])[CH2:37][C@H:57]([CH3:5])[O:121]4)[OH:107])[O:127][C:85](=[O:105])\[CH:35]=[CH:27]/1)[O:124]3)[O:123]2 |
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