| Properties | Image |
|---|
| MNX_ID | MNXM1190511 |
 |
| reference | envipathM:...f1ca88fbd9e7 |
| formula | C26H43O7 |
| global charge | -1 |
| mol weight | 467.623 |
| InChIKey | PVWFRRREKHZMLY-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H44O7/c1-14(4-7-20(30)31)16-5-6-17-21-18(9-10-24(16,17)2)25(3)11-8-15(28)12-26(25,33)22(23(21)32)19(29)13-27/h14-19,21-23,27-29,32-33H,4-13H2,1-3H3,(H,30,31)/p-1 |
| SMILES | CC(CCC(=O)[O-])C1CCC2C3C(O)C(C(O)CO)C4(O)CC(O)CCC4(C)C3CCC12C |
MNX internals
| InChI (mnx) | InChI=1/C26H44O7/c1-14(4-7-20(30)31)16-5-6-17-21-18(9-10-24(16,17)2)25(3)11-8-15(28)12-26(25,33)22(23(21)32)19(29)13-27/h14-19,21-23,27-29,32-33H,4-13H2,1-3H3,(H,30,31)/t14?,15?,16?,17?,18?,19?,21?,22?,23?,24?,25?,26? |
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| SMILES (mnx) | [CH3:1][CH:14]([CH2:4][CH2:7][C:20](=[O:30])[OH:31])[CH:16]1[CH2:5][CH2:6][CH:17]2[CH:21]3[CH:18]([CH2:9][CH2:10][C:24]12[CH3:2])[C:25]1([CH3:3])[CH2:11][CH2:8][CH:15]([OH:28])[CH2:12][C:26]1([OH:33])[CH:22]([CH:19]([CH2:13][OH:27])[OH:29])[CH:23]3[OH:32] |
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