| Properties | Image |
|---|
| MNX_ID | MNXM1400727 |
 |
| reference | chebi:219106 |
| formula | C89H150O28 |
| global charge | 0 |
| mol weight | 1668.151 |
| InChIKey | HWBNYFMBFABIIO-YNAUIAOUSA-N |
| InChI | InChI=1S/C89H150O28/c1-50-24-30-68(114-88-84(99)86(106-16)74(94)48-108-88)42-62-20-18-22-64(112-62)46-75(103-13)56(7)72(92)38-60(90)41-78(59(10)83(98)53(4)29-33-67-45-71(102-12)37-55(6)111-67)117-81(96)35-27-51(2)25-31-69(115-89-85(100)87(107-17)79(105-15)49-109-89)43-63-21-19-23-65(113-63)47-76(104-14)57(8)73(93)39-61(91)40-77(116-80(95)34-26-50)58(9)82(97)52(3)28-32-66-44-70(101-11)36-54(5)110-66/h18-21,24-27,34-35,52-79,82-94,97-100H,22-23,28-33,36-49H2,1-17H3/b34-26-,35-27-,50-24-,51-25-/t52-,53-,54-,55-,56-,57-,58+,59+,60+,61+,62-,63-,64-,65-,66-,67-,68-,69-,70+,71+,72-,73-,74-,75-,76-,77-,78-,79-,82-,83-,84-,85-,86+,87+,88+,89+/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]4O)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](O)[C@@H](OC)[C@@H]5O)C/C=C(C)\C=C/C(=O)O2)O4)O3)O[C@@H](C)C1 |
MNX internals
| InChI (mnx) | InChI=1/C89H150O28/c1-50-24-30-68(114-88-84(99)86(106-16)74(94)48-108-88)42-62-20-18-22-64(112-62)46-75(103-13)56(7)72(92)38-60(90)41-78(59(10)83(98)53(4)29-33-67-45-71(102-12)37-55(6)111-67)117-81(96)35-27-51(2)25-31-69(115-89-85(100)87(107-17)79(105-15)49-109-89)43-63-21-19-23-65(113-63)47-76(104-14)57(8)73(93)39-61(91)40-77(116-80(95)34-26-50)58(9)82(97)52(3)28-32-66-44-70(101-11)36-54(5)110-66/h18-21,24-27,34-35,52-79,82-94,97-100H,22-23,28-33,36-49H2,1-17H3/b34-26-,35-27-,50-24-,51-25-/t52-,53-,54-,55-,56-,57-,58+,59+,60+,61+,62-,63-,64-,65-,66-,67-,68-,69-,70+,71+,72-,73-,74-,75-,76-,77-,78-,79-,82-,83-,84-,85-,86+,87+,88+,89+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:50]1=[CH:24]/[CH2:30][C@H:68]([O:114][C@@H:88]2[C@@H:84]([OH:99])[C@H:86]([O:106][CH3:16])[C@@H:74]([OH:94])[CH2:48][O:108]2)[CH2:42][C@@H:62]2[CH:20]=[CH:18][CH2:22][C@@H:64]([CH2:46][C@H:75]([O:103][CH3:13])[C@@H:56]([CH3:7])[C@@H:72]([OH:92])[CH2:38][C@@H:60]([OH:90])[CH2:41][C@@H:78]([C@@H:59]([CH3:10])[C@H:83]([C@@H:53]([CH3:4])[CH2:29][CH2:33][C@H:67]3[CH2:45][C@H:71]([O:102][CH3:12])[CH2:37][C@H:55]([CH3:6])[O:111]3)[OH:98])[O:117][C:81](=[O:96])/[CH:35]=[CH:27]\[C:51]([CH3:2])=[CH:25]/[CH2:31][C@H:69]([O:115][C@@H:89]3[C@@H:85]([OH:100])[C@H:87]([O:107][CH3:17])[C@@H:79]([O:105][CH3:15])[CH2:49][O:109]3)[CH2:43][C@@H:63]3[CH:21]=[CH:19][CH2:23][C@@H:65]([CH2:47][C@H:76]([O:104][CH3:14])[C@@H:57]([CH3:8])[C@@H:73]([OH:93])[CH2:39][C@@H:61]([OH:91])[CH2:40][C@@H:77]([C@@H:58]([CH3:9])[C@H:82]([C@@H:52]([CH3:3])[CH2:28][CH2:32][C@H:66]4[CH2:44][C@H:70]([O:101][CH3:11])[CH2:36][C@H:54]([CH3:5])[O:110]4)[OH:97])[O:116][C:80](=[O:95])\[CH:34]=[CH:26]/1)[O:113]3)[O:112]2 |
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