| Properties | Image |
|---|
| MNX_ID | MNXM181621 |
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| reference | slm:000439033 |
| formula | C47H77O22P4 |
| global charge | -7 |
| mol weight | 1118.007 |
| InChIKey | ZIAOPTYCVFSUGJ-XIASNVTESA-G |
| InChI | InChI=1S/C47H84O22P4/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-40(48)63-37-39(65-41(49)36-34-32-29-10-8-6-4-2)38-64-73(61,62)69-44-42(50)45(66-70(52,53)54)47(68-72(58,59)60)46(43(44)51)67-71(55,56)57/h11-12,14-15,17-18,20-21,23-24,39,42-47,50-51H,3-10,13,16,19,22,25-38H2,1-2H3,(H,61,62)(H2,52,53,54)(H2,55,56,57)(H2,58,59,60)/p-7/b12-11-,15-14-,18-17-,21-20-,24-23-/t39-,42+,43+,44-,45+,46-,47-/m1/s1 |
| SMILES | CCCCC/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](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C47H84O22P4/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-40(48)63-37-39(65-41(49)36-34-32-29-10-8-6-4-2)38-64-73(61,62)69-44-42(50)45(66-70(52,53)54)47(68-72(58,59)60)46(43(44)51)67-71(55,56)57/h11-12,14-15,17-18,20-21,23-24,39,42-47,50-51H,3-10,13,16,19,22,25-38H2,1-2H3,(H,61,62)(H2,52,53,54)(H2,55,56,57)(H2,58,59,60)/b12-11-,15-14-,18-17-,21-20-,24-23-/t39-,42+,43+,44-,45+,46-,47-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][CH2:31][CH2:33][CH2:35][C:40](=[O:48])[O:63][CH2:37][C@H:39]([CH2:38][O:64][P:73]([OH:61])(=[O:62])[O:69][C@@H:44]1[C@H:42]([OH:50])[C@H:45]([O:66][P:70]([OH:52])([OH:53])=[O:54])[C@@H:47]([O:68][P:72]([OH:58])([OH:59])=[O:60])[C@H:46]([O:67][P:71]([OH:55])([OH:56])=[O:57])[C@H:43]1[OH:51])[O:65][C:41]([CH2:36][CH2:34][CH2:32][CH2:29][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:49] |
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