| Properties | Image |
|---|
| MNX_ID | MNXM32594 |
 |
| reference | metacycM:CPD-8414 |
| formula | C47H84O10 |
| global charge | 0 |
| mol weight | 809.179 |
| InChIKey | STRLTNHXYYRBAL-GEWSOVSMSA-N |
| InChI | InChI=1S/C47H84O10/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(49)54-38-40(39-55-47-46(53)45(52)44(51)41(37-48)57-47)56-43(50)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,21,40-41,44-48,51-53H,3-5,7,9-11,13,15-17,19-20,22-39H2,1-2H3/b8-6-,14-12-,21-18-/t40-,41-,44+,45+,46-,47-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C47H84O10/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(49)54-38-40(39-55-47-46(53)45(52)44(51)41(37-48)57-47)56-43(50)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,21,40-41,44-48,51-53H,3-5,7,9-11,13,15-17,19-20,22-39H2,1-2H3/b8-6-,14-12-,21-18-/t40-,41-,44+,45+,46-,47-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:42](=[O:49])[O:54][CH2:38][C@H:40]([CH2:39][O:55][C@H:47]1[C@H:46]([OH:53])[C@@H:45]([OH:52])[C@@H:44]([OH:51])[C@@H:41]([CH2:37][OH:48])[O:57]1)[O:56][C:43]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24]/[CH:21]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:50] |
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