| Properties | Image |
|---|
| MNX_ID | MNXM342452 |
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| reference | slm:000469253 |
| formula | C45H72O19P3 |
| global charge | -5 |
| mol weight | 1009.974 |
| InChIKey | VMXTWHPHNHVNLK-RAZWBAEUSA-I |
| InChI | InChI=1S/C45H77O19P3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-39(47)61-38(35-59-37(2)46)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h4-5,7-8,10-11,13-14,16-17,19-20,38,40-45,48-50H,3,6,9,12,15,18,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/p-5/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-/t38-,40-,41+,42+,43-,44-,45-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=O)O[C@H](COC(C)=O)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C45H77O19P3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-39(47)61-38(35-59-37(2)46)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h4-5,7-8,10-11,13-14,16-17,19-20,38,40-45,48-50H,3,6,9,12,15,18,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-/t38-,40-,41+,42+,43-,44-,45-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:4]=[CH:5]\[CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][C:39](=[O:47])[O:61][C@H:38]([CH2:35][O:59][C:37]([CH3:2])=[O:46])[CH2:36][O:60][P:67]([OH:57])(=[O:58])[O:64][C@@H:43]1[C@H:40]([OH:48])[C@H:41]([OH:49])[C@@H:44]([O:62][P:65]([OH:51])([OH:52])=[O:53])[C@H:45]([O:63][P:66]([OH:54])([OH:55])=[O:56])[C@H:42]1[OH:50] |
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