| Properties | Image |
|---|
| MNX_ID | MNXM1186174 |
 |
| reference | envipathM:...4e9cb6eeb3ef |
| formula | C17H29O5 |
| global charge | -1 |
| mol weight | 313.414 |
| InChIKey | IANUGHSQMYCHDR-UHFFFAOYSA-M |
| InChI | InChI=1S/C17H30O5/c1-2-9-14(18)10-5-3-6-11-15(19)12-7-4-8-13-16(20)17(21)22/h5-6,10-11,14-16,18-20H,2-4,7-9,12-13H2,1H3,(H,21,22)/p-1 |
| SMILES | CCCC(O)C=CCC=CC(O)CCCCCC(O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C17H30O5/c1-2-9-14(18)10-5-3-6-11-15(19)12-7-4-8-13-16(20)17(21)22/h5-6,10-11,14-16,18-20H,2-4,7-9,12-13H2,1H3,(H,21,22)/b10-5?,11-6?/t14?,15?,16? |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:9][CH:14]([CH:10]=[CH:5][CH2:3][CH:6]=[CH:11][CH:15]([CH2:12][CH2:7][CH2:4][CH2:8][CH2:13][CH:16]([C:17](=[O:21])[OH:22])[OH:20])[OH:19])[OH:18] |
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