| Properties | Image |
|---|
| MNX_ID | MNXM1138785 |
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| reference | envipathM:...dfa8cd441724 |
| formula | C26H41O7 |
| global charge | -1 |
| mol weight | 465.607 |
| InChIKey | ZVOZDYVKOSCBBT-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H42O7/c1-5-15-23(32)21-16(25(4)19(29)10-14(27)12-26(15,25)33)8-9-24(3)17(21)11-18(28)22(24)13(2)6-7-20(30)31/h13-17,19,21-23,27,29,32-33H,5-12H2,1-4H3,(H,30,31)/p-1 |
| SMILES | CCC1C(O)C2C3CC(=O)C(C(C)CCC(=O)[O-])C3(C)CCC2C2(C)C(O)CC(O)CC12O |
MNX internals
| InChI (mnx) | InChI=1/C26H42O7/c1-5-15-23(32)21-16(25(4)19(29)10-14(27)12-26(15,25)33)8-9-24(3)17(21)11-18(28)22(24)13(2)6-7-20(30)31/h13-17,19,21-23,27,29,32-33H,5-12H2,1-4H3,(H,30,31)/t13?,14?,15?,16?,17?,19?,21?,22?,23?,24?,25?,26? |
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| SMILES (mnx) | [CH3:1][CH2:5][CH:15]1[CH:23]([OH:32])[CH:21]2[CH:16]([CH2:8][CH2:9][C:24]3([CH3:3])[CH:17]2[CH2:11][C:18](=[O:28])[CH:22]3[CH:13]([CH3:2])[CH2:6][CH2:7][C:20](=[O:30])[OH:31])[C:25]2([CH3:4])[CH:19]([OH:29])[CH2:10][CH:14]([OH:27])[CH2:12][C:26]12[OH:33] |
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