| Properties | Image |
|---|
| MNX_ID | MNXM1138883 |
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| reference | envipathM:...4aa54867494c |
| formula | C26H41O6 |
| global charge | -1 |
| mol weight | 449.608 |
| InChIKey | JQMDOPQEZNBQFE-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H42O6/c1-5-15-18-11-14(27)8-9-25(18,3)22-20(29)12-26(4)16(13(2)10-19(28)24(31)32)6-7-17(26)21(22)23(15)30/h13-19,21-23,27-28,30H,5-12H2,1-4H3,(H,31,32)/p-1 |
| SMILES | CCC1C(O)C2C3CCC(C(C)CC(O)C(=O)[O-])C3(C)CC(=O)C2C2(C)CCC(O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C26H42O6/c1-5-15-18-11-14(27)8-9-25(18,3)22-20(29)12-26(4)16(13(2)10-19(28)24(31)32)6-7-17(26)21(22)23(15)30/h13-19,21-23,27-28,30H,5-12H2,1-4H3,(H,31,32)/t13?,14?,15?,16?,17?,18?,19?,21?,22?,23?,25?,26? |
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| SMILES (mnx) | [CH3:1][CH2:5][CH:15]1[CH:18]2[CH2:11][CH:14]([OH:27])[CH2:8][CH2:9][C:25]2([CH3:3])[CH:22]2[C:20](=[O:29])[CH2:12][C:26]3([CH3:4])[CH:16]([CH:13]([CH3:2])[CH2:10][CH:19]([C:24](=[O:31])[OH:32])[OH:28])[CH2:6][CH2:7][CH:17]3[CH:21]2[CH:23]1[OH:30] |
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