| Properties | Image |
|---|
| MNX_ID | MNXM1371553 |
 |
| reference | keggC:C19857 |
| formula | C85H140O33P2 |
| global charge | 0 |
| mol weight | 1751.97 |
| InChIKey | XFMBRXXBELNQLT-OAHMHHMFSA-N |
| InChI | InChI=1S/C85H140O33P2/c1-49(2)23-13-24-50(3)25-14-26-51(4)27-15-28-52(5)29-16-30-53(6)31-17-32-54(7)33-18-34-55(8)35-19-36-56(9)37-20-38-57(10)39-21-40-58(11)41-22-42-59(12)43-44-107-119(103,104)118-120(105,106)117-84-73(99)69(95)75(63(48-89)111-84)112-83-74(100)76(66(92)62(47-88)109-83)113-85-78(68(94)65(91)61(46-87)110-85)115-82-72(98)70(96)77(79(116-82)80(101)102)114-81-71(97)67(93)64(90)60(45-86)108-81/h23,25,27,29,31,33,35,37,39,41,43,60-79,81-100H,13-22,24,26,28,30,32,34,36,38,40,42,44-48H2,1-12H3,(H,101,102)(H,103,104)(H,105,106)/b50-25+,51-27+,52-29-,53-31-,54-33-,55-35-,56-37-,57-39-,58-41-,59-43-/t60-,61-,62-,63-,64-,65-,66-,67+,68+,69-,70-,71+,72-,73-,74-,75-,76+,77+,78+,79+,81+,82-,83+,84-,85-/m1/s1 |
| SMILES | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)(O)OP(=O)(O)O[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](C(=O)O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C85H140O33P2/c1-49(2)23-13-24-50(3)25-14-26-51(4)27-15-28-52(5)29-16-30-53(6)31-17-32-54(7)33-18-34-55(8)35-19-36-56(9)37-20-38-57(10)39-21-40-58(11)41-22-42-59(12)43-44-107-119(103,104)118-120(105,106)117-84-73(99)69(95)75(63(48-89)111-84)112-83-74(100)76(66(92)62(47-88)109-83)113-85-78(68(94)65(91)61(46-87)110-85)115-82-72(98)70(96)77(79(116-82)80(101)102)114-81-71(97)67(93)64(90)60(45-86)108-81/h23,25,27,29,31,33,35,37,39,41,43,60-79,81-100H,13-22,24,26,28,30,32,34,36,38,40,42,44-48H2,1-12H3,(H,101,102)(H,103,104)(H,105,106)/b50-25+,51-27+,52-29-,53-31-,54-33-,55-35-,56-37-,57-39-,58-41-,59-43-/t60-,61-,62-,63-,64-,65-,66-,67+,68+,69-,70-,71+,72-,73-,74-,75-,76+,77+,78+,79+,81+,82-,83+,84-,85-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:49]([CH3:2])=[CH:23][CH2:13][CH2:24]/[C:50]([CH3:3])=[CH:25]/[CH2:14][CH2:26]/[C:51]([CH3:4])=[CH:27]/[CH2:15][CH2:28]/[C:52]([CH3:5])=[CH:29]\[CH2:16][CH2:30]/[C:53]([CH3:6])=[CH:31]\[CH2:17][CH2:32]/[C:54]([CH3:7])=[CH:33]\[CH2:18][CH2:34]/[C:55]([CH3:8])=[CH:35]\[CH2:19][CH2:36]/[C:56]([CH3:9])=[CH:37]\[CH2:20][CH2:38]/[C:57]([CH3:10])=[CH:39]\[CH2:21][CH2:40]/[C:58]([CH3:11])=[CH:41]\[CH2:22][CH2:42]/[C:59]([CH3:12])=[CH:43]\[CH2:44][O:107][P:119]([OH:103])(=[O:104])[O:118][P:120]([OH:105])(=[O:106])[O:117][C@@H:84]1[C@H:73]([OH:99])[C@@H:69]([OH:95])[C@H:75]([O:112][C@H:83]2[C@H:74]([OH:100])[C@@H:76]([O:113][C@@H:85]3[C@@H:78]([O:115][C@H:82]4[C@H:72]([OH:98])[C@@H:70]([OH:96])[C@H:77]([O:114][C@H:81]5[C@@H:71]([OH:97])[C@@H:67]([OH:93])[C@H:64]([OH:90])[C@@H:60]([CH2:45][OH:86])[O:108]5)[C@@H:79]([C:80](=[O:101])[OH:102])[O:116]4)[C@@H:68]([OH:94])[C@H:65]([OH:91])[C@@H:61]([CH2:46][OH:87])[O:110]3)[C@H:66]([OH:92])[C@@H:62]([CH2:47][OH:88])[O:109]2)[C@@H:63]([CH2:48][OH:89])[O:111]1 |
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