| Properties | Image |
|---|
| MNX_ID | MNXM1192442 |
 |
| reference | envipathM:...074f8cd52736 |
| formula | C17H29O6 |
| global charge | -1 |
| mol weight | 329.413 |
| InChIKey | LHFPTPBGNSNMEG-UHFFFAOYSA-M |
| InChI | InChI=1S/C17H30O6/c1-2-8-13(18)9-4-3-5-10-14(19)17(23)15(20)11-6-7-12-16(21)22/h4-5,9-10,13-15,17-20,23H,2-3,6-8,11-12H2,1H3,(H,21,22)/p-1 |
| SMILES | CCCC(O)C=CCC=CC(O)C(O)C(O)CCCCC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C17H30O6/c1-2-8-13(18)9-4-3-5-10-14(19)17(23)15(20)11-6-7-12-16(21)22/h4-5,9-10,13-15,17-20,23H,2-3,6-8,11-12H2,1H3,(H,21,22)/b9-4?,10-5?/t13?,14?,15?,17? |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:8][CH:13]([CH:9]=[CH:4][CH2:3][CH:5]=[CH:10][CH:14]([CH:17]([CH:15]([CH2:11][CH2:6][CH2:7][CH2:12][C:16](=[O:21])[OH:22])[OH:20])[OH:23])[OH:19])[OH:18] |
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