| Properties | Image |
|---|
| MNX_ID | MNXM1188251 |
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| reference | envipathM:...35678652a863 |
| formula | C26H41O7 |
| global charge | -1 |
| mol weight | 465.607 |
| InChIKey | MOAARRFFRYAONX-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H42O7/c1-5-25(32)18-14-15(27)8-10-23(18,3)26(33)13-12-22(2)16(20(26)21(25)30)6-7-17(22)24(4,31)11-9-19(28)29/h16-18,20-21,30-33H,5-14H2,1-4H3,(H,28,29)/p-1 |
| SMILES | CCC1(O)C(O)C2C3CCC(C(C)(O)CCC(=O)[O-])C3(C)CCC2(O)C2(C)CCC(=O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C26H42O7/c1-5-25(32)18-14-15(27)8-10-23(18,3)26(33)13-12-22(2)16(20(26)21(25)30)6-7-17(22)24(4,31)11-9-19(28)29/h16-18,20-21,30-33H,5-14H2,1-4H3,(H,28,29)/t16?,17?,18?,20?,21?,22?,23?,24?,25?,26? |
 |
| SMILES (mnx) | [CH3:1][CH2:5][C:25]1([OH:32])[CH:18]2[CH2:14][C:15](=[O:27])[CH2:8][CH2:10][C:23]2([CH3:3])[C:26]2([OH:33])[CH2:13][CH2:12][C:22]3([CH3:2])[CH:16]([CH2:6][CH2:7][CH:17]3[C:24]([CH3:4])([CH2:11][CH2:9][C:19](=[O:28])[OH:29])[OH:31])[CH:20]2[CH:21]1[OH:30] |
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