| Properties | Image |
|---|
| MNX_ID | MNXM13298 |
 |
| reference | metacycM:CPD-12787 |
| formula | C99H159O43P2 |
| global charge | -3 |
| mol weight | 2099.266 |
| InChIKey | NLXOUANNXGTQKI-QXPRXVCNSA-K |
| InChI | InChI=1S/C99H162O43P2/c1-15-52(2)26-16-27-53(3)28-17-29-54(4)30-18-31-55(5)32-19-33-56(6)34-20-35-57(7)36-21-37-58(8)38-22-39-59(9)40-23-41-60(10)42-24-43-61(11)44-25-45-62(12)48-129-143(122,123)142-144(124,125)141-98-85(118)79(112)87(66(47-101)132-98)136-97-86(119)88(74(107)65(46-100)131-97)137-99-90(78(111)73(106)67(135-99)49-126-64(14)102)139-96-84(117)80(113)89(91(140-96)92(120)121)138-95-83(116)77(110)72(105)69(134-95)51-128-94-82(115)76(109)71(104)68(133-94)50-127-93-81(114)75(108)70(103)63(13)130-93/h15,27,29,31,33,35,37,39,41,43,45,63,65-91,93-101,103-119H,16-26,28,30,32,34,36,38,40,42,44,46-51H2,1-14H3,(H,120,121)(H,122,123)(H,124,125)/p-3/b52-15-,53-27-,54-29-,55-31-,56-33-,57-35-,58-37-,59-39-,60-41+,61-43+,62-45+/t63-,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-,90-,91-,93+,94+,95+,96+,97-,98+,99+/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](COC(C)=O)[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/C99H162O43P2/c1-15-52(2)26-16-27-53(3)28-17-29-54(4)30-18-31-55(5)32-19-33-56(6)34-20-35-57(7)36-21-37-58(8)38-22-39-59(9)40-23-41-60(10)42-24-43-61(11)44-25-45-62(12)48-129-143(122,123)142-144(124,125)141-98-85(118)79(112)87(66(47-101)132-98)136-97-86(119)88(74(107)65(46-100)131-97)137-99-90(78(111)73(106)67(135-99)49-126-64(14)102)139-96-84(117)80(113)89(91(140-96)92(120)121)138-95-83(116)77(110)72(105)69(134-95)51-128-94-82(115)76(109)71(104)68(133-94)50-127-93-81(114)75(108)70(103)63(13)130-93/h15,27,29,31,33,35,37,39,41,43,45,63,65-91,93-101,103-119H,16-26,28,30,32,34,36,38,40,42,44,46-51H2,1-14H3,(H,120,121)(H,122,123)(H,124,125)/b52-15-,53-27-,54-29-,55-31-,56-33-,57-35-,58-37-,59-39-,60-41+,61-43+,62-45+/t63-,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-,90-,91-,93+,94+,95+,96+,97-,98+,99+/m0/s1 |
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| SMILES (mnx) | [CH3:1]/[CH:15]=[C:52](/[CH3:2])[CH2:26][CH2:16]/[CH:27]=[C:53](/[CH3:3])[CH2:28][CH2:17]/[CH:29]=[C:54](/[CH3:4])[CH2:30][CH2:18]/[CH:31]=[C:55](/[CH3:5])[CH2:32][CH2:19]/[CH:33]=[C:56](/[CH3:6])[CH2:34][CH2:20]/[CH:35]=[C:57](/[CH3:7])[CH2:36][CH2:21]/[CH:37]=[C:58](/[CH3:8])[CH2:38][CH2:22]/[CH:39]=[C:59](/[CH3:9])[CH2:40][CH2:23]/[CH:41]=[C:60](\[CH3:10])[CH2:42][CH2:24]/[CH:43]=[C:61](\[CH3:11])[CH2:44][CH2:25]/[CH:45]=[C:62](\[CH3:12])[CH2:48][O:129][P:143]([OH:122])(=[O:123])[O:142][P:144]([OH:124])(=[O:125])[O:141][C@@H:98]1[C@H:85]([OH:118])[C@@H:79]([OH:112])[C@H:87]([O:136][C@H:97]2[C@H:86]([OH:119])[C@@H:88]([O:137][C@@H:99]3[C@@H:90]([O:139][C@H:96]4[C@H:84]([OH:117])[C@@H:80]([OH:113])[C@H:89]([O:138][C@@H:95]5[C@H:83]([OH:116])[C@@H:77]([OH:110])[C@H:72]([OH:105])[C@@H:69]([CH2:51][O:128][C@H:94]6[C@H:82]([OH:115])[C@@H:76]([OH:109])[C@H:71]([OH:104])[C@@H:68]([CH2:50][O:127][C@H:93]7[C@H:81]([OH:114])[C@H:75]([OH:108])[C@@H:70]([OH:103])[C@H:63]([CH3:13])[O:130]7)[O:133]6)[O:134]5)[C@@H:91]([C:92](=[O:120])[OH:121])[O:140]4)[C@@H:78]([OH:111])[C@H:73]([OH:106])[C@@H:67]([CH2:49][O:126][C:64]([CH3:14])=[O:102])[O:135]3)[C@H:74]([OH:107])[C@@H:65]([CH2:46][OH:100])[O:131]2)[C@@H:66]([CH2:47][OH:101])[O:132]1 |
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