| Properties | Image |
|---|
| MNX_ID | MNXM342733 |
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| reference | slm:000462872 |
| formula | C29H45O16P2 |
| global charge | -3 |
| mol weight | 711.611 |
| InChIKey | ZCGBROCYYIHETH-GTVCAKPMSA-K |
| InChI | InChI=1S/C29H48O16P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(31)43-22(19-41-21(2)30)20-42-47(39,40)45-29-26(34)24(32)28(25(33)27(29)35)44-46(36,37)38/h4-5,7-8,10-11,13-14,22,24-29,32-35H,3,6,9,12,15-20H2,1-2H3,(H,39,40)(H2,36,37,38)/p-3/b5-4-,8-7-,11-10-,14-13-/t22-,24-,25+,26-,27-,28+,29+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=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](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C29H48O16P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(31)43-22(19-41-21(2)30)20-42-47(39,40)45-29-26(34)24(32)28(25(33)27(29)35)44-46(36,37)38/h4-5,7-8,10-11,13-14,22,24-29,32-35H,3,6,9,12,15-20H2,1-2H3,(H,39,40)(H2,36,37,38)/b5-4-,8-7-,11-10-,14-13-/t22-,24-,25+,26-,27-,28+,29+/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][CH2:16][CH2:17][CH2:18][C:23](=[O:31])[O:43][C@H:22]([CH2:19][O:41][C:21]([CH3:2])=[O:30])[CH2:20][O:42][P:47]([OH:39])(=[O:40])[O:45][C@H:29]1[C@H:26]([OH:34])[C@@H:24]([OH:32])[C@H:28]([O:44][P:46]([OH:36])([OH:37])=[O:38])[C@@H:25]([OH:33])[C@H:27]1[OH:35] |
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