| Properties | Image |
|---|
| MNX_ID | MNXM13299 |
 |
| reference | metacycM:CPD-12786 |
| formula | C97H157O42P2 |
| global charge | -3 |
| mol weight | 2057.229 |
| InChIKey | ZYAVUDWTGZDSHW-XYKKTBAXSA-K |
| InChI | InChI=1S/C97H160O42P2/c1-14-51(2)25-15-26-52(3)27-16-28-53(4)29-17-30-54(5)31-18-32-55(6)33-19-34-56(7)35-20-36-57(8)37-21-38-58(9)39-22-40-59(10)41-23-42-60(11)43-24-44-61(12)48-126-140(120,121)139-141(122,123)138-96-83(116)77(110)85(65(47-100)130-96)133-95-84(117)86(72(105)64(46-99)128-95)134-97-88(76(109)69(102)63(45-98)129-97)136-94-82(115)78(111)87(89(137-94)90(118)119)135-93-81(114)75(108)71(104)67(132-93)50-125-92-80(113)74(107)70(103)66(131-92)49-124-91-79(112)73(106)68(101)62(13)127-91/h14,26,28,30,32,34,36,38,40,42,44,62-89,91-117H,15-25,27,29,31,33,35,37,39,41,43,45-50H2,1-13H3,(H,118,119)(H,120,121)(H,122,123)/p-3/b51-14-,52-26-,53-28-,54-30-,55-32-,56-34-,57-36-,58-38-,59-40+,60-42+,61-44+/t62-,63+,64+,65+,66+,67+,68-,69+,70+,71+,72+,73+,74-,75-,76-,77+,78+,79+,80+,81+,82+,83+,84+,85+,86-,87-,88-,89-,91+,92+,93+,94+,95-,96+,97+/m0/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]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]5O[C@H](CO[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)[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/C97H160O42P2/c1-14-51(2)25-15-26-52(3)27-16-28-53(4)29-17-30-54(5)31-18-32-55(6)33-19-34-56(7)35-20-36-57(8)37-21-38-58(9)39-22-40-59(10)41-23-42-60(11)43-24-44-61(12)48-126-140(120,121)139-141(122,123)138-96-83(116)77(110)85(65(47-100)130-96)133-95-84(117)86(72(105)64(46-99)128-95)134-97-88(76(109)69(102)63(45-98)129-97)136-94-82(115)78(111)87(89(137-94)90(118)119)135-93-81(114)75(108)71(104)67(132-93)50-125-92-80(113)74(107)70(103)66(131-92)49-124-91-79(112)73(106)68(101)62(13)127-91/h14,26,28,30,32,34,36,38,40,42,44,62-89,91-117H,15-25,27,29,31,33,35,37,39,41,43,45-50H2,1-13H3,(H,118,119)(H,120,121)(H,122,123)/b51-14-,52-26-,53-28-,54-30-,55-32-,56-34-,57-36-,58-38-,59-40+,60-42+,61-44+/t62-,63+,64+,65+,66+,67+,68-,69+,70+,71+,72+,73+,74-,75-,76-,77+,78+,79+,80+,81+,82+,83+,84+,85+,86-,87-,88-,89-,91+,92+,93+,94+,95-,96+,97+/m0/s1 |
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| SMILES (mnx) | [CH3:1]/[CH:14]=[C:51](/[CH3:2])[CH2:25][CH2:15]/[CH:26]=[C:52](/[CH3:3])[CH2:27][CH2:16]/[CH:28]=[C:53](/[CH3:4])[CH2:29][CH2:17]/[CH:30]=[C:54](/[CH3:5])[CH2:31][CH2:18]/[CH:32]=[C:55](/[CH3:6])[CH2:33][CH2:19]/[CH:34]=[C:56](/[CH3:7])[CH2:35][CH2:20]/[CH:36]=[C:57](/[CH3:8])[CH2:37][CH2:21]/[CH:38]=[C:58](/[CH3:9])[CH2:39][CH2:22]/[CH:40]=[C:59](\[CH3:10])[CH2:41][CH2:23]/[CH:42]=[C:60](\[CH3:11])[CH2:43][CH2:24]/[CH:44]=[C:61](\[CH3:12])[CH2:48][O:126][P:140]([OH:120])(=[O:121])[O:139][P:141]([OH:122])(=[O:123])[O:138][C@@H:96]1[C@H:83]([OH:116])[C@@H:77]([OH:110])[C@H:85]([O:133][C@H:95]2[C@H:84]([OH:117])[C@@H:86]([O:134][C@@H:97]3[C@@H:88]([O:136][C@H:94]4[C@H:82]([OH:115])[C@@H:78]([OH:111])[C@H:87]([O:135][C@@H:93]5[C@H:81]([OH:114])[C@@H:75]([OH:108])[C@H:71]([OH:104])[C@@H:67]([CH2:50][O:125][C@H:92]6[C@H:80]([OH:113])[C@@H:74]([OH:107])[C@H:70]([OH:103])[C@@H:66]([CH2:49][O:124][C@H:91]7[C@H:79]([OH:112])[C@H:73]([OH:106])[C@@H:68]([OH:101])[C@H:62]([CH3:13])[O:127]7)[O:131]6)[O:132]5)[C@@H:89]([C:90](=[O:118])[OH:119])[O:137]4)[C@@H:76]([OH:109])[C@H:69]([OH:102])[C@@H:63]([CH2:45][OH:98])[O:129]3)[C@H:72]([OH:105])[C@@H:64]([CH2:46][OH:99])[O:128]2)[C@@H:65]([CH2:47][OH:100])[O:130]1 |
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