| Properties | Image |
|---|
| MNX_ID | MNXM741656 |
 |
| reference | biggM:CE1447 |
| formula | C20H31O6 |
| global charge | -1 |
| mol weight | 367.462 |
| InChIKey | KJYIVXDPWBUJBQ-YXZVYGOHSA-M |
| InChI | InChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/p-1/b7-4-,13-12?/t15-,16-,17-,18+/m0/s1 |
| SMILES | CCCCC[C@H](O)C=C[C@H]1OC(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12?/t15-,16-,17-,18+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:6][CH2:9][C@@H:15]([CH:12]=[CH:13][C@@H:18]1[C@@H:16]([CH2:10]/[CH:7]=[CH:4]\[CH2:5][CH2:8][CH2:11][C:19](=[O:23])[OH:24])[C@@H:17]([OH:22])[CH2:14][C:20](=[O:25])[O:26]1)[OH:21] |
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