| Properties | Image |
|---|
| MNX_ID | MNXM180480 |
 |
| reference | slm:000014282 |
| formula | C49H82O13P |
| global charge | -1 |
| mol weight | 910.156 |
| InChIKey | SHNXGPGOAFZHEW-SMRAQPPESA-M |
| InChI | InChI=1S/C49H83O13P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-42(50)59-39-41(61-43(51)38-36-34-32-29-12-10-8-6-4-2)40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56/h5,7,11,13,15-16,18-19,21-22,24-25,41,44-49,52-56H,3-4,6,8-10,12,14,17,20,23,26-40H2,1-2H3,(H,57,58)/p-1/b7-5-,13-11-,16-15-,19-18-,22-21-,25-24-/t41-,44-,45-,46+,47-,48-,49-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C49H83O13P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-42(50)59-39-41(61-43(51)38-36-34-32-29-12-10-8-6-4-2)40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56/h5,7,11,13,15-16,18-19,21-22,24-25,41,44-49,52-56H,3-4,6,8-10,12,14,17,20,23,26-40H2,1-2H3,(H,57,58)/b7-5-,13-11-,16-15-,19-18-,22-21-,25-24-/t41-,44-,45-,46+,47-,48-,49-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26][CH2:27][CH2:28][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][C:42](=[O:50])[O:59][CH2:39][C@H:41]([CH2:40][O:60][P:63]([OH:57])(=[O:58])[O:62][C@@H:49]1[C@H:47]([OH:55])[C@H:45]([OH:53])[C@@H:44]([OH:52])[C@H:46]([OH:54])[C@H:48]1[OH:56])[O:61][C:43]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:29][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:51] |
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