| Properties | Image |
|---|
| MNX_ID | MNXM36692 |
 |
| reference | chebi:62127 |
| formula | C49H90O16S |
| global charge | 0 |
| mol weight | 967.31 |
| InChIKey | OFHDXPZDJZUGHW-QFMDKXFESA-N |
| InChI | InChI=1S/C49H90O16S/c1-4-6-8-10-12-14-16-18-19-20-22-23-25-27-29-31-33-37(3)47(56)63-44-42(54)39(36-51)61-49(64-48-45(65-66(57,58)59)43(55)41(53)38(35-50)60-48)46(44)62-40(52)34-32-30-28-26-24-21-17-15-13-11-9-7-5-2/h33,38-39,41-46,48-51,53-55H,4-32,34-36H2,1-3H3,(H,57,58,59)/b37-33+/t38-,39-,41-,42-,43+,44+,45-,46-,48-,49-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCC/C=C(\C)C(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OS(=O)(=O)O)[C@@H]1OC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C49H90O16S/c1-4-6-8-10-12-14-16-18-19-20-22-23-25-27-29-31-33-37(3)47(56)63-44-42(54)39(36-51)61-49(64-48-45(65-66(57,58)59)43(55)41(53)38(35-50)60-48)46(44)62-40(52)34-32-30-28-26-24-21-17-15-13-11-9-7-5-2/h33,38-39,41-46,48-51,53-55H,4-32,34-36H2,1-3H3,(H,57,58,59)/b37-33+/t38-,39-,41-,42-,43+,44+,45-,46-,48-,49-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:19][CH2:20][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31]/[CH:33]=[C:37](\[CH3:3])[C:47](=[O:56])[O:63][C@H:44]1[C@H:42]([OH:54])[C@@H:39]([CH2:36][OH:51])[O:61][C@H:49]([O:64][C@@H:48]2[C@H:45]([O:65][S:66]([OH:57])(=[O:58])=[O:59])[C@@H:43]([OH:55])[C@H:41]([OH:53])[C@@H:38]([CH2:35][OH:50])[O:60]2)[C@@H:46]1[O:62][C:40]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:21][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])=[O:52] |
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