| Properties | Image |
|---|
| MNX_ID | MNXM1559634 |
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| reference | metacycM:CPD-25351 |
| formula | C49H98O8 |
| global charge | 0 |
| mol weight | 815.315 |
| InChIKey | UOQHWSSSRAZWSQ-BTJYQYCBSA-N |
| InChI | InChI=1S/C49H98O8/c1-36(2)17-11-19-38(5)21-13-23-40(7)25-15-27-42(9)29-31-54-34-44(35-56-49-48(53)47(52)46(51)45(33-50)57-49)55-32-30-43(10)28-16-26-41(8)24-14-22-39(6)20-12-18-37(3)4/h36-53H,11-35H2,1-10H3/t38-,39-,40-,41-,42-,43-,44+,45-,46-,47+,48-,49-/m1/s1 |
| SMILES | CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C49H98O8/c1-36(2)17-11-19-38(5)21-13-23-40(7)25-15-27-42(9)29-31-54-34-44(35-56-49-48(53)47(52)46(51)45(33-50)57-49)55-32-30-43(10)28-16-26-41(8)24-14-22-39(6)20-12-18-37(3)4/h36-53H,11-35H2,1-10H3/t38-,39-,40-,41-,42-,43-,44+,45-,46-,47+,48-,49-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH:36]([CH3:2])[CH2:17][CH2:11][CH2:19][C@@H:38]([CH3:5])[CH2:21][CH2:13][CH2:23][C@@H:40]([CH3:7])[CH2:25][CH2:15][CH2:27][C@@H:42]([CH3:9])[CH2:29][CH2:31][O:54][CH2:34][C@@H:44]([CH2:35][O:56][C@H:49]1[C@H:48]([OH:53])[C@@H:47]([OH:52])[C@H:46]([OH:51])[C@@H:45]([CH2:33][OH:50])[O:57]1)[O:55][CH2:32][CH2:30][C@H:43]([CH3:10])[CH2:28][CH2:16][CH2:26][C@H:41]([CH3:8])[CH2:24][CH2:14][CH2:22][C@H:39]([CH3:6])[CH2:20][CH2:12][CH2:18][CH:37]([CH3:3])[CH3:4] |
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