| Properties | Image |
|---|
| MNX_ID | MNXM1132565 |
 |
| reference | metacycM:CPD-23831 |
| formula | C91H149N3O32P2 |
| global charge | -2 |
| mol weight | 1859.13 |
| InChIKey | OMXXRMOWKCKDHY-FZPZGDPQSA-L |
| InChI | InChI=1S/C91H151N3O32P2/c1-53(2)26-16-27-54(3)28-17-29-55(4)30-18-31-56(5)32-19-33-57(6)34-20-35-58(7)36-21-37-59(8)38-22-39-60(9)40-23-41-61(10)42-24-43-62(11)44-25-45-63(12)46-47-115-127(111,112)126-128(113,114)125-89-74(94-66(15)102)85(78(106)70(51-98)118-89)122-88-73(93-65(14)101)84(77(105)69(50-97)117-88)123-91-82(110)86(124-87-72(92-64(13)100)79(107)75(103)67(48-95)116-87)83(71(52-99)120-91)121-90-81(109)80(108)76(104)68(49-96)119-90/h26,28,30,32,34,36,38,40,42,44,46,67-91,95-99,103-110H,16-25,27,29,31,33,35,37,39,41,43,45,47-52H2,1-15H3,(H,92,100)(H,93,101)(H,94,102)(H,111,112)(H,113,114)/p-2/b54-28-,55-30-,56-32-,57-34-,58-36-,59-38-,60-40-,61-42-,62-44-,63-46-/t67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77+,78-,79-,80+,81-,82-,83+,84-,85-,86-,87+,88-,89+,90-,91+/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@@H](OP(=O)([O-])OP(=O)([O-])OC/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)CCC=C(C)C)[C@@H]4NC(C)=O)[C@@H]3NC(C)=O)O[C@H](CO)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C91H151N3O32P2/c1-53(2)26-16-27-54(3)28-17-29-55(4)30-18-31-56(5)32-19-33-57(6)34-20-35-58(7)36-21-37-59(8)38-22-39-60(9)40-23-41-61(10)42-24-43-62(11)44-25-45-63(12)46-47-115-127(111,112)126-128(113,114)125-89-74(94-66(15)102)85(78(106)70(51-98)118-89)122-88-73(93-65(14)101)84(77(105)69(50-97)117-88)123-91-82(110)86(124-87-72(92-64(13)100)79(107)75(103)67(48-95)116-87)83(71(52-99)120-91)121-90-81(109)80(108)76(104)68(49-96)119-90/h26,28,30,32,34,36,38,40,42,44,46,67-91,95-99,103-110H,16-25,27,29,31,33,35,37,39,41,43,45,47-52H2,1-15H3,(H,92,100)(H,93,101)(H,94,102)(H,111,112)(H,113,114)/b54-28-,55-30-,56-32-,57-34-,58-36-,59-38-,60-40-,61-42-,62-44-,63-46-/t67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77+,78-,79-,80+,81-,82-,83+,84-,85-,86-,87+,88-,89+,90-,91+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:53]([CH3:2])=[CH:26][CH2:16][CH2:27]/[C:54]([CH3:3])=[CH:28]\[CH2:17][CH2:29]/[C:55]([CH3:4])=[CH:30]\[CH2:18][CH2:31]/[C:56]([CH3:5])=[CH:32]\[CH2:19][CH2:33]/[C:57]([CH3:6])=[CH:34]\[CH2:20][CH2:35]/[C:58]([CH3:7])=[CH:36]\[CH2:21][CH2:37]/[C:59]([CH3:8])=[CH:38]\[CH2:22][CH2:39]/[C:60]([CH3:9])=[CH:40]\[CH2:23][CH2:41]/[C:61]([CH3:10])=[CH:42]\[CH2:24][CH2:43]/[C:62]([CH3:11])=[CH:44]\[CH2:25][CH2:45]/[C:63]([CH3:12])=[CH:46]\[CH2:47][O:115][P:127]([OH:111])(=[O:112])[O:126][P:128]([OH:113])(=[O:114])[O:125][C@H:89]1[C@H:74]([N:94]=[C:66]([CH3:15])[OH:102])[C@@H:85]([O:122][C@@H:88]2[C@H:73]([N:93]=[C:65]([CH3:14])[OH:101])[C@@H:84]([O:123][C@H:91]3[C@H:82]([OH:110])[C@@H:86]([O:124][C@H:87]4[C@H:72]([N:92]=[C:64]([CH3:13])[OH:100])[C@@H:79]([OH:107])[C@H:75]([OH:103])[C@@H:67]([CH2:48][OH:95])[O:116]4)[C@@H:83]([O:121][C@@H:90]4[C@H:81]([OH:109])[C@@H:80]([OH:108])[C@H:76]([OH:104])[C@@H:68]([CH2:49][OH:96])[O:119]4)[C@@H:71]([CH2:52][OH:99])[O:120]3)[C@@H:77]([OH:105])[C@@H:69]([CH2:50][OH:97])[O:117]2)[C@H:78]([OH:106])[C@@H:70]([CH2:51][OH:98])[O:118]1 |
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