| Properties | Image |
|---|
| MNX_ID | MNXM165533 |
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| reference | biggM:CE6463 |
| formula | C22H31O5 |
| global charge | -1 |
| mol weight | 375.485 |
| InChIKey | BAWOSSADQOARSN-JHIZZXPQSA-M |
| InChI | InChI=1S/C22H32O5/c1-2-18-19(21(25)16-20(18)24)15-14-17(23)12-10-8-6-4-3-5-7-9-11-13-22(26)27/h3-4,7-10,14-15,17-19,21,23,25H,2,5-6,11-13,16H2,1H3,(H,26,27)/p-1/b4-3-,9-7-,10-8-,15-14+/t17-,18+,19-,21?/m0/s1 |
| SMILES | CC[C@H]1C(=O)CC(O)[C@H]1/C=C/[C@@H](O)C/C=C\C/C=C\C/C=C\CCC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C22H32O5/c1-2-18-19(21(25)16-20(18)24)15-14-17(23)12-10-8-6-4-3-5-7-9-11-13-22(26)27/h3-4,7-10,14-15,17-19,21,23,25H,2,5-6,11-13,16H2,1H3,(H,26,27)/b4-3-,9-7-,10-8-,15-14+/t17-,18+,19-,21?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:2][C@@H:18]1[C@H:19](/[CH:15]=[CH:14]/[C@H:17]([CH2:12]/[CH:10]=[CH:8]\[CH2:6]/[CH:4]=[CH:3]\[CH2:5]/[CH:7]=[CH:9]\[CH2:11][CH2:13][C:22](=[O:26])[OH:27])[OH:23])[CH:21]([OH:25])[CH2:16][C:20]1=[O:24] |
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