| Properties | Image |
|---|
| MNX_ID | MNXM1193711 |
 |
| reference | envipathM:...6dcca493a220 |
| formula | C17H29O6 |
| global charge | -1 |
| mol weight | 329.413 |
| InChIKey | YRRDAKYQFFCGKB-UHFFFAOYSA-M |
| InChI | InChI=1S/C17H30O6/c1-2-10-13(18)11-8-6-4-3-5-7-9-12-14(19)15(20)16(21)17(22)23/h3-4,8,11,13-16,18-21H,2,5-7,9-10,12H2,1H3,(H,22,23)/p-1 |
| SMILES | CCCC(O)C=CCC=CCCCCC(O)C(O)C(O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C17H30O6/c1-2-10-13(18)11-8-6-4-3-5-7-9-12-14(19)15(20)16(21)17(22)23/h3-4,8,11,13-16,18-21H,2,5-7,9-10,12H2,1H3,(H,22,23)/b4-3?,11-8?/t13?,14?,15?,16? |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:10][CH:13]([CH:11]=[CH:8][CH2:6][CH:4]=[CH:3][CH2:5][CH2:7][CH2:9][CH2:12][CH:14]([CH:15]([CH:16]([C:17](=[O:22])[OH:23])[OH:21])[OH:20])[OH:19])[OH:18] |
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