| Properties | Image |
|---|
| MNX_ID | MNXM36694 |
 |
| reference | chebi:62128 |
| formula | C52H96O16S |
| global charge | 0 |
| mol weight | 1009.391 |
| InChIKey | ZJPQHHFYMMVDPZ-ZKGQKARYSA-N |
| InChI | InChI=1S/C52H96O16S/c1-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-39(3)36-40(4)50(59)66-47-45(57)42(38-54)64-52(67-51-48(68-69(60,61)62)46(58)44(56)41(37-53)63-51)49(47)65-43(55)35-33-31-29-27-25-22-18-16-14-12-10-8-6-2/h36,39,41-42,44-49,51-54,56-58H,5-35,37-38H2,1-4H3,(H,60,61,62)/b40-36+/t39-,41+,42+,44+,45+,46-,47-,48+,49+,51+,52+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCC[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)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C52H96O16S/c1-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-39(3)36-40(4)50(59)66-47-45(57)42(38-54)64-52(67-51-48(68-69(60,61)62)46(58)44(56)41(37-53)63-51)49(47)65-43(55)35-33-31-29-27-25-22-18-16-14-12-10-8-6-2/h36,39,41-42,44-49,51-54,56-58H,5-35,37-38H2,1-4H3,(H,60,61,62)/b40-36+/t39-,41+,42+,44+,45+,46-,47-,48+,49+,51+,52+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:21][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C@H:39]([CH3:3])/[CH:36]=[C:40](\[CH3:4])[C:50](=[O:59])[O:66][C@H:47]1[C@H:45]([OH:57])[C@@H:42]([CH2:38][OH:54])[O:64][C@H:52]([O:67][C@@H:51]2[C@H:48]([O:68][S:69]([OH:60])(=[O:61])=[O:62])[C@@H:46]([OH:58])[C@H:44]([OH:56])[C@@H:41]([CH2:37][OH:53])[O:63]2)[C@@H:49]1[O:65][C:43]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:22][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:55] |
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