| Properties | Image |
|---|
| MNX_ID | MNXM35372 |
 |
| reference | chebi:62137 |
| formula | C48H88O16S |
| global charge | 0 |
| mol weight | 953.283 |
| InChIKey | UMSJDVXFKVPQCB-YIJCZVJLSA-N |
| InChI | InChI=1S/C48H88O16S/c1-7-9-11-13-14-15-16-17-18-19-20-21-23-24-26-33(3)28-34(4)29-35(5)30-36(6)46(55)62-43-41(53)38(32-50)60-48(45(43)61-39(51)27-25-22-12-10-8-2)63-47-44(64-65(56,57)58)42(54)40(52)37(31-49)59-47/h30,33-35,37-38,40-45,47-50,52-54H,7-29,31-32H2,1-6H3,(H,56,57,58)/b36-30+/t33-,34-,35-,37+,38+,40+,41+,42-,43-,44+,45+,47+,48+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)C[C@H](C)/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)CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C48H88O16S/c1-7-9-11-13-14-15-16-17-18-19-20-21-23-24-26-33(3)28-34(4)29-35(5)30-36(6)46(55)62-43-41(53)38(32-50)60-48(45(43)61-39(51)27-25-22-12-10-8-2)63-47-44(64-65(56,57)58)42(54)40(52)37(31-49)59-47/h30,33-35,37-38,40-45,47-50,52-54H,7-29,31-32H2,1-6H3,(H,56,57,58)/b36-30+/t33-,34-,35-,37+,38+,40+,41+,42-,43-,44+,45+,47+,48+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][CH2:9][CH2:11][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:23][CH2:24][CH2:26][C@H:33]([CH3:3])[CH2:28][C@H:34]([CH3:4])[CH2:29][C@H:35]([CH3:5])/[CH:30]=[C:36](\[CH3:6])[C:46](=[O:55])[O:62][C@H:43]1[C@H:41]([OH:53])[C@@H:38]([CH2:32][OH:50])[O:60][C@H:48]([O:63][C@@H:47]2[C@H:44]([O:64][S:65]([OH:56])(=[O:57])=[O:58])[C@@H:42]([OH:54])[C@H:40]([OH:52])[C@@H:37]([CH2:31][OH:49])[O:59]2)[C@@H:45]1[O:61][C:39]([CH2:27][CH2:25][CH2:22][CH2:12][CH2:10][CH2:8][CH3:2])=[O:51] |
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