| Properties | Image |
|---|
| MNX_ID | MNXM13292 |
 |
| reference | metacycM:CPD-12785 |
| formula | C91H147O38P2 |
| global charge | -3 |
| mol weight | 1911.087 |
| InChIKey | VXAMHCGLLLDONZ-QYKKZAPKSA-K |
| InChI | InChI=1S/C91H150O38P2/c1-13-50(2)24-14-25-51(3)26-15-27-52(4)28-16-29-53(5)30-17-31-54(6)32-18-33-55(7)34-19-35-56(8)36-20-37-57(9)38-21-39-58(10)40-22-41-59(11)42-23-43-60(12)48-117-130(112,113)129-131(114,115)128-90-78(108)73(103)80(64(47-95)121-90)123-89-79(109)81(69(99)63(46-94)119-89)124-91-83(72(102)67(97)62(45-93)120-91)126-88-77(107)74(104)82(84(127-88)85(110)111)125-87-76(106)71(101)68(98)65(122-87)49-116-86-75(105)70(100)66(96)61(44-92)118-86/h13,25,27,29,31,33,35,37,39,41,43,61-84,86-109H,14-24,26,28,30,32,34,36,38,40,42,44-49H2,1-12H3,(H,110,111)(H,112,113)(H,114,115)/p-3/b50-13-,51-25-,52-27-,53-29-,54-31-,55-33-,56-35-,57-37-,58-39+,59-41+,60-43+/t61-,62-,63-,64-,65-,66-,67-,68-,69-,70+,71+,72+,73-,74-,75-,76-,77-,78-,79-,80-,81+,82+,83+,84+,86-,87-,88-,89+,90-,91-/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]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](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/C91H150O38P2/c1-13-50(2)24-14-25-51(3)26-15-27-52(4)28-16-29-53(5)30-17-31-54(6)32-18-33-55(7)34-19-35-56(8)36-20-37-57(9)38-21-39-58(10)40-22-41-59(11)42-23-43-60(12)48-117-130(112,113)129-131(114,115)128-90-78(108)73(103)80(64(47-95)121-90)123-89-79(109)81(69(99)63(46-94)119-89)124-91-83(72(102)67(97)62(45-93)120-91)126-88-77(107)74(104)82(84(127-88)85(110)111)125-87-76(106)71(101)68(98)65(122-87)49-116-86-75(105)70(100)66(96)61(44-92)118-86/h13,25,27,29,31,33,35,37,39,41,43,61-84,86-109H,14-24,26,28,30,32,34,36,38,40,42,44-49H2,1-12H3,(H,110,111)(H,112,113)(H,114,115)/b50-13-,51-25-,52-27-,53-29-,54-31-,55-33-,56-35-,57-37-,58-39+,59-41+,60-43+/t61-,62-,63-,64-,65-,66-,67-,68-,69-,70+,71+,72+,73-,74-,75-,76-,77-,78-,79-,80-,81+,82+,83+,84+,86-,87-,88-,89+,90-,91-/m1/s1 |
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| SMILES (mnx) | [CH3:1]/[CH:13]=[C:50](/[CH3:2])[CH2:24][CH2:14]/[CH:25]=[C:51](/[CH3:3])[CH2:26][CH2:15]/[CH:27]=[C:52](/[CH3:4])[CH2:28][CH2:16]/[CH:29]=[C:53](/[CH3:5])[CH2:30][CH2:17]/[CH:31]=[C:54](/[CH3:6])[CH2:32][CH2:18]/[CH:33]=[C:55](/[CH3:7])[CH2:34][CH2:19]/[CH:35]=[C:56](/[CH3:8])[CH2:36][CH2:20]/[CH:37]=[C:57](/[CH3:9])[CH2:38][CH2:21]/[CH:39]=[C:58](\[CH3:10])[CH2:40][CH2:22]/[CH:41]=[C:59](\[CH3:11])[CH2:42][CH2:23]/[CH:43]=[C:60](\[CH3:12])[CH2:48][O:117][P:130]([OH:112])(=[O:113])[O:129][P:131]([OH:114])(=[O:115])[O:128][C@@H:90]1[C@H:78]([OH:108])[C@@H:73]([OH:103])[C@H:80]([O:123][C@H:89]2[C@H:79]([OH:109])[C@@H:81]([O:124][C@@H:91]3[C@@H:83]([O:126][C@H:88]4[C@H:77]([OH:107])[C@@H:74]([OH:104])[C@H:82]([O:125][C@@H:87]5[C@H:76]([OH:106])[C@@H:71]([OH:101])[C@H:68]([OH:98])[C@@H:65]([CH2:49][O:116][C@H:86]6[C@H:75]([OH:105])[C@@H:70]([OH:100])[C@H:66]([OH:96])[C@@H:61]([CH2:44][OH:92])[O:118]6)[O:122]5)[C@@H:84]([C:85](=[O:110])[OH:111])[O:127]4)[C@@H:72]([OH:102])[C@H:67]([OH:97])[C@@H:62]([CH2:45][OH:93])[O:120]3)[C@H:69]([OH:99])[C@@H:63]([CH2:46][OH:94])[O:119]2)[C@@H:64]([CH2:47][OH:95])[O:121]1 |
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