| Properties | Image |
|---|
| MNX_ID | MNXM1371512 |
 |
| reference | keggC:C19854 |
| formula | C79H130O28P2 |
| global charge | 0 |
| mol weight | 1589.829 |
| InChIKey | BZESDHPZHQIIGZ-LNZPCPEVSA-N |
| InChI | InChI=1S/C79H130O28P2/c1-48(2)23-13-24-49(3)25-14-26-50(4)27-15-28-51(5)29-16-30-52(6)31-17-32-53(7)33-18-34-54(8)35-19-36-55(9)37-20-38-56(10)39-21-40-57(11)41-22-42-58(12)43-44-98-108(94,95)107-109(96,97)106-78-69(90)67(88)71(61(47-82)101-78)102-77-70(91)72(63(84)60(46-81)99-77)103-79-74(65(86)62(83)59(45-80)100-79)105-76-68(89)64(85)66(87)73(104-76)75(92)93/h23,25,27,29,31,33,35,37,39,41,43,59-74,76-91H,13-22,24,26,28,30,32,34,36,38,40,42,44-47H2,1-12H3,(H,92,93)(H,94,95)(H,96,97)/b49-25+,50-27+,51-29-,52-31-,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-/t59-,60-,61-,62-,63-,64+,65+,66+,67-,68-,69-,70-,71-,72+,73+,74+,76+,77+,78-,79-/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](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C79H130O28P2/c1-48(2)23-13-24-49(3)25-14-26-50(4)27-15-28-51(5)29-16-30-52(6)31-17-32-53(7)33-18-34-54(8)35-19-36-55(9)37-20-38-56(10)39-21-40-57(11)41-22-42-58(12)43-44-98-108(94,95)107-109(96,97)106-78-69(90)67(88)71(61(47-82)101-78)102-77-70(91)72(63(84)60(46-81)99-77)103-79-74(65(86)62(83)59(45-80)100-79)105-76-68(89)64(85)66(87)73(104-76)75(92)93/h23,25,27,29,31,33,35,37,39,41,43,59-74,76-91H,13-22,24,26,28,30,32,34,36,38,40,42,44-47H2,1-12H3,(H,92,93)(H,94,95)(H,96,97)/b49-25+,50-27+,51-29-,52-31-,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-/t59-,60-,61-,62-,63-,64+,65+,66+,67-,68-,69-,70-,71-,72+,73+,74+,76+,77+,78-,79-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:48]([CH3:2])=[CH:23][CH2:13][CH2:24]/[C:49]([CH3:3])=[CH:25]/[CH2:14][CH2:26]/[C:50]([CH3:4])=[CH:27]/[CH2:15][CH2:28]/[C:51]([CH3:5])=[CH:29]\[CH2:16][CH2:30]/[C:52]([CH3:6])=[CH:31]\[CH2:17][CH2:32]/[C:53]([CH3:7])=[CH:33]\[CH2:18][CH2:34]/[C:54]([CH3:8])=[CH:35]\[CH2:19][CH2:36]/[C:55]([CH3:9])=[CH:37]\[CH2:20][CH2:38]/[C:56]([CH3:10])=[CH:39]\[CH2:21][CH2:40]/[C:57]([CH3:11])=[CH:41]\[CH2:22][CH2:42]/[C:58]([CH3:12])=[CH:43]\[CH2:44][O:98][P:108]([OH:94])(=[O:95])[O:107][P:109]([OH:96])(=[O:97])[O:106][C@@H:78]1[C@H:69]([OH:90])[C@@H:67]([OH:88])[C@H:71]([O:102][C@H:77]2[C@H:70]([OH:91])[C@@H:72]([O:103][C@@H:79]3[C@@H:74]([O:105][C@H:76]4[C@H:68]([OH:89])[C@@H:64]([OH:85])[C@H:66]([OH:87])[C@@H:73]([C:75](=[O:92])[OH:93])[O:104]4)[C@@H:65]([OH:86])[C@H:62]([OH:83])[C@@H:59]([CH2:45][OH:80])[O:100]3)[C@H:63]([OH:84])[C@@H:60]([CH2:46][OH:81])[O:99]2)[C@@H:61]([CH2:47][OH:82])[O:101]1 |
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