| Properties | Image |
|---|
| MNX_ID | MNXM6750 |
 |
| reference | metacycM:CPD-19667 |
| formula | C49H98O12P |
| global charge | -1 |
| mol weight | 910.285 |
| InChIKey | BIMQTAPDDPVEMF-GDTUEYJVSA-M |
| InChI | InChI=1S/C49H99O12P/c1-35(2)17-11-19-37(5)21-13-23-39(7)24-15-26-41(9)28-31-58-33-42(34-60-62(56,57)61-48-46(53)44(51)43(50)45(52)47(48)54)59-32-30-49(10,55)29-16-27-40(8)25-14-22-38(6)20-12-18-36(3)4/h35-48,50-55H,11-34H2,1-10H3,(H,56,57)/p-1/t37-,38-,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](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OCC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C49H99O12P/c1-35(2)17-11-19-37(5)21-13-23-39(7)24-15-26-41(9)28-31-58-33-42(34-60-62(56,57)61-48-46(53)44(51)43(50)45(52)47(48)54)59-32-30-49(10,55)29-16-27-40(8)25-14-22-38(6)20-12-18-36(3)4/h35-48,50-55H,11-34H2,1-10H3,(H,56,57)/t37-,38-,39-,40-,41-,42+,43-,44-,45+,46-,47-,48-,49-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:35]([CH3:2])[CH2:17][CH2:11][CH2:19][C@@H:37]([CH3:5])[CH2:21][CH2:13][CH2:23][C@@H:39]([CH3:7])[CH2:24][CH2:15][CH2:26][C@@H:41]([CH3:9])[CH2:28][CH2:31][O:58][CH2:33][C@@H:42]([CH2:34][O:60][P:62]([OH:56])(=[O:57])[O:61][C@@H:48]1[C@H:46]([OH:53])[C@H:44]([OH:51])[C@@H:43]([OH:50])[C@H:45]([OH:52])[C@H:47]1[OH:54])[O:59][CH2:32][CH2:30][C@@:49]([CH3:10])([CH2:29][CH2:16][CH2:27][C@H:40]([CH3:8])[CH2:25][CH2:14][CH2:22][C@H:38]([CH3:6])[CH2:20][CH2:12][CH2:18][CH:36]([CH3:3])[CH3:4])[OH:55] |
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