| Properties | Image |
|---|
| MNX_ID | MNXM191427 |
 |
| reference | slm:000432784 |
| formula | C47H79O16P2 |
| global charge | -3 |
| mol weight | 962.081 |
| InChIKey | IUSCKGCLPPZNJV-FIAOZOJCSA-K |
| InChI | InChI=1S/C47H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h5,7,11,13-14,16-17,19,22,24,39,42-47,50-53H,3-4,6,8-10,12,15,18,20-21,23,25-38H2,1-2H3,(H,57,58)(H2,54,55,56)/p-3/b7-5-,13-11-,16-14+,19-17-,24-22-/t39-,42-,43-,44-,45-,46+,47-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C47H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h5,7,11,13-14,16-17,19,22,24,39,42-47,50-53H,3-4,6,8-10,12,15,18,20-21,23,25-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b7-5-,13-11-,16-14+,19-17-,24-22-/t39-,42-,43-,44-,45-,46+,47-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:22]=[CH:24]\[CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:41](=[O:49])[O:61][C@H:39]([CH2:37][O:59][C:40]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:18]/[CH:16]=[CH:14]/[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:48])[CH2:38][O:60][P:65]([OH:57])(=[O:58])[O:63][C@@H:47]1[C@H:44]([OH:52])[C@H:42]([OH:50])[C@@H:43]([OH:51])[C@H:46]([O:62][P:64]([OH:54])([OH:55])=[O:56])[C@H:45]1[OH:53] |
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