| Properties | Image |
|---|
| MNX_ID | MNXM1371990 |
 |
| reference | biggM:o16aund |
| formula | C89H145NO32P2 |
| global charge | -2 |
| mol weight | 1803.062 |
| InChIKey | NYDKXESIKHJNQU-UHFFFAOYSA-L |
| InChI | InChI=1S/C89H147NO32P2/c1-52(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)46-47-112-123(106,107)122-124(108,109)121-85-70(90-64(14)93)82(74(99)69(116-85)51-110-86-78(103)75(100)72(97)67(49-92)115-86)119-89-84(114-65(15)94)83(71(96)63(13)113-89)120-88-79(104)76(101)73(98)68(117-88)50-111-87-80(105)77(102)81(118-87)66(95)48-91/h26,28,30,32,34,36,38,40,42,44,46,63,66-89,91-92,95-105H,16-25,27,29,31,33,35,37,39,41,43,45,47-51H2,1-15H3,(H,90,93)(H,106,107)(H,108,109)/p-2 |
| SMILES | CC(=O)NC1C(OP(=O)([O-])OP(=O)([O-])OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)OC(COC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OC(C)C(O)C(OC2OC(COC3OC(C(O)CO)C(O)C3O)C(O)C(O)C2O)C1OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C89H147NO32P2/c1-52(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)46-47-112-123(106,107)122-124(108,109)121-85-70(90-64(14)93)82(74(99)69(116-85)51-110-86-78(103)75(100)72(97)67(49-92)115-86)119-89-84(114-65(15)94)83(71(96)63(13)113-89)120-88-79(104)76(101)73(98)68(117-88)50-111-87-80(105)77(102)81(118-87)66(95)48-91/h26,28,30,32,34,36,38,40,42,44,46,63,66-89,91-92,95-105H,16-25,27,29,31,33,35,37,39,41,43,45,47-51H2,1-15H3,(H,90,93)(H,106,107)(H,108,109)/b53-28?,54-30?,55-32?,56-34?,57-36?,58-38?,59-40?,60-42?,61-44?,62-46?/t63?,66?,67?,68?,69?,70?,71?,72?,73?,74?,75?,76?,77?,78?,79?,80?,81?,82?,83?,84?,85?,86?,87?,88?,89? |
 |
| SMILES (mnx) | [CH3:1][C:52]([CH3:2])=[CH:26][CH2:16][CH2:27][C:53]([CH3:3])=[CH:28][CH2:17][CH2:29][C:54]([CH3:4])=[CH:30][CH2:18][CH2:31][C:55]([CH3:5])=[CH:32][CH2:19][CH2:33][C:56]([CH3:6])=[CH:34][CH2:20][CH2:35][C:57]([CH3:7])=[CH:36][CH2:21][CH2:37][C:58]([CH3:8])=[CH:38][CH2:22][CH2:39][C:59]([CH3:9])=[CH:40][CH2:23][CH2:41][C:60]([CH3:10])=[CH:42][CH2:24][CH2:43][C:61]([CH3:11])=[CH:44][CH2:25][CH2:45][C:62]([CH3:12])=[CH:46][CH2:47][O:112][P:123]([OH:106])(=[O:107])[O:122][P:124]([OH:108])(=[O:109])[O:121][CH:85]1[CH:70]([N:90]=[C:64]([CH3:14])[OH:93])[CH:82]([O:119][CH:89]2[CH:84]([O:114][C:65]([CH3:15])=[O:94])[CH:83]([O:120][CH:88]3[CH:79]([OH:104])[CH:76]([OH:101])[CH:73]([OH:98])[CH:68]([CH2:50][O:111][CH:87]4[CH:80]([OH:105])[CH:77]([OH:102])[CH:81]([CH:66]([CH2:48][OH:91])[OH:95])[O:118]4)[O:117]3)[CH:71]([OH:96])[CH:63]([CH3:13])[O:113]2)[CH:74]([OH:99])[CH:69]([CH2:51][O:110][CH:86]2[CH:78]([OH:103])[CH:75]([OH:100])[CH:72]([OH:97])[CH:67]([CH2:49][OH:92])[O:115]2)[O:116]1 |
|