| Properties | Image |
|---|
| MNX_ID | MNXM216858 |
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| reference | slm:000015400 |
| formula | C40H66O13P |
| global charge | -1 |
| mol weight | 785.929 |
| InChIKey | UBJBRFXHHZEFCM-UJFONQQZSA-M |
| InChI | InChI=1S/C40H67O13P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-34(42)50-30-32(52-33(41)4-2)31-51-54(48,49)53-40-38(46)36(44)35(43)37(45)39(40)47/h5-6,8-9,11-12,14-15,17-18,32,35-40,43-47H,3-4,7,10,13,16,19-31H2,1-2H3,(H,48,49)/p-1/b6-5-,9-8-,12-11-,15-14-,18-17-/t32-,35-,36-,37+,38-,39-,40-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=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)CC |
MNX internals
| InChI (mnx) | InChI=1/C40H67O13P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-34(42)50-30-32(52-33(41)4-2)31-51-54(48,49)53-40-38(46)36(44)35(43)37(45)39(40)47/h5-6,8-9,11-12,14-15,17-18,32,35-40,43-47H,3-4,7,10,13,16,19-31H2,1-2H3,(H,48,49)/b6-5-,9-8-,12-11-,15-14-,18-17-/t32-,35-,36-,37+,38-,39-,40-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][C:34](=[O:42])[O:50][CH2:30][C@H:32]([CH2:31][O:51][P:54]([OH:48])(=[O:49])[O:53][C@@H:40]1[C@H:38]([OH:46])[C@H:36]([OH:44])[C@@H:35]([OH:43])[C@H:37]([OH:45])[C@H:39]1[OH:47])[O:52][C:33]([CH2:4][CH3:2])=[O:41] |
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