| Properties | Image |
|---|
| MNX_ID | MNXM1132305 |
 |
| reference | metacycM:CPD-23224 |
| formula | C73H120O22P2 |
| global charge | -2 |
| mol weight | 1411.689 |
| InChIKey | UUOBPLQNWTZJRI-CDOAACBZSA-L |
| InChI | InChI=1S/C73H122O22P2/c1-13-48(2)24-14-25-49(3)26-15-27-50(4)28-16-29-51(5)30-17-31-52(6)32-18-33-53(7)34-19-35-54(8)36-20-37-55(9)38-21-39-56(10)40-22-41-57(11)42-23-43-58(12)47-88-96(84,85)95-97(86,87)94-73-68(83)70(63(78)60(45-75)90-73)93-72-67(82)65(80)69(61(46-76)91-72)92-71-66(81)64(79)62(77)59(44-74)89-71/h13,25,27,29,31,33,35,37,39,41,43,59-83H,14-24,26,28,30,32,34,36,38,40,42,44-47H2,1-12H3,(H,84,85)(H,86,87)/p-2/b48-13-,49-25-,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-/m1/s1 |
| SMILES | C/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)CC/C=C(\C)COP(=O)([O-])OP(=O)([O-])O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C73H122O22P2/c1-13-48(2)24-14-25-49(3)26-15-27-50(4)28-16-29-51(5)30-17-31-52(6)32-18-33-53(7)34-19-35-54(8)36-20-37-55(9)38-21-39-56(10)40-22-41-57(11)42-23-43-58(12)47-88-96(84,85)95-97(86,87)94-73-68(83)70(63(78)60(45-75)90-73)93-72-67(82)65(80)69(61(46-76)91-72)92-71-66(81)64(79)62(77)59(44-74)89-71/h13,25,27,29,31,33,35,37,39,41,43,59-83H,14-24,26,28,30,32,34,36,38,40,42,44-47H2,1-12H3,(H,84,85)(H,86,87)/b48-13-,49-25-,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-/m1/s1 |
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| SMILES (mnx) | [CH3:1]/[CH:13]=[C:48](/[CH3:2])[CH2:24][CH2:14]/[CH:25]=[C:49](/[CH3:3])[CH2:26][CH2:15]/[CH:27]=[C:50](/[CH3:4])[CH2:28][CH2:16]/[CH:29]=[C:51](/[CH3:5])[CH2:30][CH2:17]/[CH:31]=[C:52](/[CH3:6])[CH2:32][CH2:18]/[CH:33]=[C:53](/[CH3:7])[CH2:34][CH2:19]/[CH:35]=[C:54](/[CH3:8])[CH2:36][CH2:20]/[CH:37]=[C:55](/[CH3:9])[CH2:38][CH2:21]/[CH:39]=[C:56](\[CH3:10])[CH2:40][CH2:22]/[CH:41]=[C:57](\[CH3:11])[CH2:42][CH2:23]/[CH:43]=[C:58](\[CH3:12])[CH2:47][O:88][P:96]([OH:84])(=[O:85])[O:95][P:97]([OH:86])(=[O:87])[O:94][C@@H:73]1[C@H:68]([OH:83])[C@@H:70]([O:93][C@H:72]2[C@H:67]([OH:82])[C@@H:65]([OH:80])[C@H:69]([O:92][C@H:71]3[C@H:66]([OH:81])[C@@H:64]([OH:79])[C@H:62]([OH:77])[C@@H:59]([CH2:44][OH:74])[O:89]3)[C@@H:61]([CH2:46][OH:76])[O:91]2)[C@@H:63]([OH:78])[C@@H:60]([CH2:45][OH:75])[O:90]1 |
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