| Properties | Image |
| MNX_ID | MNXM1592444 |
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| reference | vmhM:18rhltb4 vmhM:18rhltb4 |
| formula | C20H31O5 |
| global charge | -1 |
| mol weight | 351.463 |
| InChIKey | SBXDKWTYHRBIPS-WKJPPEAWSA-M |
| InChI | InChI=1S/C20H32O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-7,9,12-13,17-19,21-23H,2,8,10-11,14-16H2,1H3,(H,24,25)/p-1/b4-3+,9-5-,12-6+,13-7-/t17-,18+,19-/m1/s1 |
| SMILES | CC[C@@H](O)CC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C20H32O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-7,9,12-13,17-19,21-23H,2,8,10-11,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,12-6+,13-7-/t17-,18+,19-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:2][C@H:17]([CH2:11][CH2:8]/[CH:5]=[CH:9]\[CH2:14][C@H:18](/[CH:12]=[CH:6]/[CH:3]=[CH:4]/[CH:7]=[CH:13]\[C@H:19]([CH2:15][CH2:10][CH2:16][C:20]([OH:24])=[O:25])[OH:23])[OH:22])[OH:21] |
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